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Data / Research funding / Chem Thry, Mdls & Cmptnl Mthds

NSF program Chem Thry, Mdls & Cmptnl Mthds (688100): 188 awards, $94.9M to 95 organizations

188 NSF awards ($94.9M) under the program element Chem Thry, Mdls & Cmptnl Mthds (688100) to 95 organizations, fiscal years 2022 to 2026, read 2026-11-04.

SpecStream is the live web data engine for teams and agents. It reads the NIH and NSF award files each time the agencies update them, and this page is that reading, joined to the open federal funding opportunities on Grants.gov. Ask for the awards you track by topic, organization or state and new awards arrive in your sheet, CRM, Slack or agent as the agencies publish them.

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Program element code
688100
Directorate
Directorate for Mathematical and Physical Sciences
Division
Chemistry Section

Awards

188 awards in the window.

AwardAgencyInstitute or divisionFiscal yearAmount in windowStartEndPrincipal investigatorSource
Collaborative Research: Frameworks: Software Infrastructure for Next-Generation Quantum ChemistryNSFOffice of Advanced Cyberinfrastructure2024$1,569,070September 15, 2024August 31, 2028Charles D Sherrillnsf.gov
MFB: Better Homologous Folding using Computational Linguistics and Deep LearningNSFComputing & AI Foundations2024$1,453,104March 1, 2024February 28, 2027Liang Huangnsf.gov
Collaborative Research: Frameworks: Building the PySCF Software Infrastructure for Next-Generation Electronic Structure SimulationsNSFOffice of Advanced Cyberinfrastructure2025$1,360,000September 1, 2025August 31, 2030Garnet K Channsf.gov
Topics in Protein and RNA Folding and DynamicsNSFChemistry Section2023$1,000,000September 1, 2023August 31, 2027Devarajan Thirumalainsf.gov
Collaborative Research: Hardware-Specific Quantum Algorithms for Path Integral Based Quantum Molecular SimulationNSFChemistry Section2026$802,604April 1, 2026March 31, 2029Mark E Tuckermannsf.gov
Multiconfiguration Nonclassical-Energy Functional Theory For Spectroscopy and DynamicsNSFChemistry Section2025$800,000August 1, 2025July 31, 2028Laura Gagliardinsf.gov
Exploring the Top Three Rungs of a Ladder of Density Functional ApproximationsNSFChemistry Section2025$750,000September 1, 2025August 31, 2028Adrienn Ruzsinszkynsf.gov
Molecular Radiative and Relaxation ProcessesNSFChemistry Section2023$707,000May 1, 2023April 30, 2027Shaul Mukamelnsf.gov
Reactive Force Field Design Guided by Energy Decomposition AnalysisNSFChemistry Section2023$700,000September 1, 2023August 31, 2026Teresa L Head-Gordonnsf.gov
CAREER: Non-equilibrium Quantum Dynamics of Molecular Qubit EnsemblesNSFChemistry Section2025$700,000May 1, 2025April 30, 2030Philip Shushkovnsf.gov
CAREER: NEXT GENERATION THEORY TO PREDICT & CONTROL POLARON FORMATION & TRANSPORTNSFChemistry Section2025$700,000April 1, 2025March 31, 2030Andres Montoya Castillonsf.gov
CAREER: Novel Theoretical Tools for Dynamics of Interacting Light-Matter SystemsNSFChemistry Section2026$700,000August 1, 2026July 31, 2031Hsing-Ta Chennsf.gov
CAREER: Advancing Quasi-exact Quantum Dynamics of Complex Molecules with Tensor Network StatesNSFChemistry Section2026$700,000July 15, 2026June 30, 2031Henrik R Larssonnsf.gov
CAREER: Flexible Electronic Structure Methods for Strongly Correlated SystemsNSFChemistry Section2025$699,999April 1, 2025March 31, 2030Ramon A Miranda Quintanansf.gov
CAREER: Accelerating Conformational Sampling of Biomolecules with Transferable Generative ModelsNSFChemistry Section2025$699,487February 1, 2025January 31, 2030Grant M Rotskoffnsf.gov
CAREER: Advancing Periodic Wavefunction Methods for Polaritons: Toward Quantum Control in 2D MaterialsNSFChemistry Section2026$698,003July 15, 2026June 30, 2031Xiao Wangnsf.gov
CAREER: Machine Learning-Assisted First-Principles Modeling of Ultrafast Photoexcitation in 2D HeterostructuresNSFChemistry Section2026$697,770July 15, 2026June 30, 2031Dhara J Trivedinsf.gov
Angular Momentum Conservation, Spin, and Nonadiabatic DynamicsNSFChemistry Section2024$696,868August 15, 2024July 31, 2028Joseph Subotniknsf.gov
CAREER: Heterogeneous Catalysis from Correlated Wavefunction TheoriesNSFChemistry Section2026$692,909March 1, 2026February 28, 2031Hong-Zhou Yensf.gov
Collaborative Research: Frameworks: Building the PySCF Software Infrastructure for Next-Generation Electronic Structure SimulationsNSFOffice of Advanced Cyberinfrastructure2025$680,000September 1, 2025August 31, 2030Tianyu Zhunsf.gov
Collaborative Research: Frameworks: Building the PySCF Software Infrastructure for Next-Generation Electronic Structure SimulationsNSFOffice of Advanced Cyberinfrastructure2025$680,000September 1, 2025August 31, 2030Laura Gagliardinsf.gov
Collaborative Research: Frameworks: Building the PySCF Software Infrastructure for Next-Generation Electronic Structure SimulationsNSFOffice of Advanced Cyberinfrastructure2025$680,000September 1, 2025August 31, 2030Timothy Berkelbachnsf.gov
CAREER: Modeling Nonadiabatic Effects in Light-driven Processes of Systems in Complex EnvironmentsNSFChemistry Section2025$670,828January 1, 2025December 31, 2029Tim J Zuehlsdorffnsf.gov
CAREER: Automated Reasoning to Advance Chemical TheoryNSFChemistry Section2023$665,209May 1, 2023April 30, 2028Tyler R Josephsonnsf.gov
CAREER: Reduced Scaling Multireference Perturbation Theory with Polarizable Multipole Force Field Embedding for Simulating Photoreactions in Biological EnvironmentsNSFChemistry Section2025$660,000January 1, 2025December 31, 2029Chenchen Songnsf.gov
MPS/CHE-EPSRC: A New Framework for Exploring and Exploiting Quantum Correlations in Molecular Singlet FissionNSFChemistry Section2025$655,882September 15, 2025August 31, 2028Sean T Robertsnsf.gov
CAREER: Integrating Grassmannians with Electronic Structure Theory for Next-Generation Quantum ChemistryNSFChemistry Section2025$653,043January 1, 2025December 31, 2029Ka Un Laonsf.gov
CAREER: Tensor Factorization Methods for High-Level Electronic Structure TheoryNSFChemistry Section2022$650,000February 1, 2022January 31, 2027Devin A Matthewsnsf.gov
CAREER: Development of Novel Domain-Tailored Machine Learning Tools for Organic Reaction Development and DiscoveryNSFChemistry Section2022$650,000March 1, 2022August 31, 2027Connor W Coleynsf.gov
CAREER: Resonant Hartree-Fock Inspired Descriptions of Excited State ProcessesNSFChemistry Section2022$650,000April 1, 2022March 31, 2027Lee M Thompsonnsf.gov
CAREER: Enhanced Sampling Methods to Characterize Nucleic Acid Structure, Recognition Mechanisms and FunctionNSFChemistry Section2023$650,000December 15, 2022November 30, 2027Alberto Pereznsf.gov
CAREER: From Quantum to Classical and Back: Bringing 2D Spectroscopy Insights into FocusNSFChemistry Section2023$650,000February 1, 2023January 31, 2028Michael Reppertnsf.gov
CAREER: Photochemistry with Resonating Mean-FieldNSFChemistry Section2023$650,000June 1, 2023May 31, 2028Shane M Parkernsf.gov
CAREER: Accelerated Chemical Reactions in Unique Solvation EnvironmentsNSFChemistry Section2023$650,000January 1, 2023December 31, 2027Jesse McDanielnsf.gov
CAREER: Development of Constrained Multicomponent Density Functional Theory and Accurate and Efficient Incorporation of Nuclear Quantum Effects in ab initio Molecular DynamicsNSFChemistry Section2023$650,000December 1, 2022November 30, 2027Yang Yangnsf.gov
CAREER: Reaction-Diffusion Kinetics with Tensor NetworksNSFChemistry Section2023$650,000September 1, 2023August 31, 2028Todd R Gingrichnsf.gov
CAREER: Many-Body Green's Function Framework for Materials SpectroscopyNSFChemistry Section2024$650,000January 1, 2024December 31, 2028Tianyu Zhunsf.gov
CAREER: Statistical Theory of Energy Flow and Chemical Reactivity in Polaritonic MaterialsNSFChemistry Section2024$650,000December 1, 2023November 30, 2028Raphael F Ribeironsf.gov
Role of Defects on Electron Dynamics in Strongly Correlated Copper Oxides: Bridging Theory and Experiment in Ultrafast XUV SpectroscopyNSFChemistry Section2026$650,000August 1, 2026July 31, 2029Lawrence R Bakernsf.gov
CAREER: Enabling the Accurate Simulation of Multi-Dimensional Core-Level Spectroscopies in Molecular Complexes using Time-Dependent Density Functional TheoryNSFChemistry Section2024$649,414December 15, 2023November 30, 2028Daniel R Nascimentonsf.gov
CAREER: Diffractive Imaging of Molecular Structure and Dynamics with Vortex Beams: Theory and ComputationNSFChemistry Section2026$649,289July 15, 2026June 30, 2031Haiwang Yongnsf.gov
New Coupled-cluster Methods for Modeling Valence and Core-level Spectroscopy in Bound and Unbound DomainsNSFChemistry Section2025$647,636September 1, 2025August 31, 2028Anna Krylovnsf.gov
CAREER: Simulating Mesoscale Quantum Dynamics and Non-linear MicroscopyNSFChemistry Section2023$629,867August 1, 2023January 31, 2027Doran I Raccahnsf.gov
CAREER: Development of Adaptive and Efficient Computational Inverse Design Methods for Organic Functional MaterialsNSFChemistry Section2024$625,000December 15, 2023November 30, 2028Daniel P Tabornsf.gov
CAREER: Advancing Mechanistic Understanding of Catalytic Plastic Waste Upcycling via Ab Initio Enhanced SamplingNSFChemical, Bioengineering, Environmental, & Transport Systems2025$625,000February 1, 2025January 31, 2030Elizabeth M Leensf.gov
CAREER: Develop a Hybrid Adaptive Particle-Field Simulation Method for Solutions of Macromolecules and a New Computational Chemistry Course for Lower-Division UndergraduatesNSFChemistry Section2024$618,912January 1, 2024December 31, 2028Bilin Zhuangnsf.gov
Collaborative Research: Frameworks: Software Infrastructure for Next-Generation Quantum ChemistryNSFOffice of Advanced Cyberinfrastructure2024$610,000September 15, 2024August 31, 2028Thomas D Crawfordnsf.gov
CAREER: Investigating Strong Electron-Phonon Interactions in Semiconducting Crystals Using Reciprocal-Space Quantum-Classical ModelingNSFChemistry Section2022$601,980April 1, 2022March 31, 2027Roel Tempelaarnsf.gov
ELEMENTS: py-MCMD: software for hybrid Monte Carlo/molecular dynamics simulationsNSFOffice of Advanced Cyberinfrastructure2024$600,000September 15, 2024August 31, 2027Jeffrey J Potoffnsf.gov
Elements: Cyberinfrastructure for incorporating nuclear quantum effects in ab initio molecular simulations through constrained nuclear-electronic orbital density functional theoryNSFOffice of Advanced Cyberinfrastructure2024$600,000September 15, 2024August 31, 2027Yang Yangnsf.gov
Linear and Nonlinear Diffusion and Charge Conductivity of ProteinsNSFChemistry Section2025$600,000June 1, 2025May 31, 2028Dmitry V Matyushovnsf.gov
Phase Behavior of Ternary Lipid Mixtures in Asymmetric MembranesNSFChemistry Section2025$600,000June 15, 2025May 31, 2028Markus Desernonsf.gov
Ab Initio Methods for Simulating Time-Resolved Magnetic Circular DichroismNSFChemistry Section2025$600,000September 1, 2025August 31, 2028Xiaosong Linsf.gov
Small matrix path integral methods for quantum dynamicsNSFChemistry Section2025$600,000September 1, 2025August 31, 2028Nancy Makrinsf.gov
Simulating Molecular Dynamics Initiated by Strong Laser FieldsNSFChemistry Section2026$600,000August 1, 2026July 31, 2029Benjamin Levinensf.gov
Time-domain Atomistic Theory and Simulation of Quantum Dynamics on the NanoscaleNSFChemistry Section2026$600,000August 1, 2026July 31, 2029Oleg V Prezhdonsf.gov
Variational Path Sampling for Rare Dynamical EventsNSFChemistry Section2026$600,000August 1, 2026July 31, 2029David T Limmernsf.gov
Physics-Informed Foundation Models for Multi-Scale Chemical Design: From Reaction Optimization to MacromoleculesNSFChemistry Section2026$600,000August 1, 2026July 31, 2029Seonah Kimnsf.gov
Neural Network-Driven Atomistic Simulations for Predicting Chiroptical Properties in Ligand Induced Chiral Semiconductor NanocrystalsNSFChemistry Section2025$598,414May 1, 2025April 30, 2028Eran Rabaninsf.gov
MPS/CHE-EPSRC: Quantum Coherence and Correlations in Condensed Phase Photochemical Reaction DynamicsNSFChemistry Section2025$597,560September 15, 2025August 31, 2028Stephen E Bradforthnsf.gov
Thermodynamic and Electrostatic Methods for Modeling Large Organic CrystalsNSFChemistry Section2025$596,090July 1, 2025June 30, 2028Michael J Schniedersnsf.gov
MPS/CHE-EPSRC: Quantifying Utilizable Entanglement in Chemistry from First PrinciplesNSFChemistry Section2026$589,987September 1, 2026August 31, 2029Francesco Evangelistansf.gov
CAREER: Multiconfigurational Methods for Modeling Quantum Sensors and Open Transport SystemsNSFChemistry Section2024$580,000July 15, 2024June 30, 2029Erik P Hoynsf.gov
Manifestations of Chirality in Molecular Transport PhenomenaNSFChemistry Section2025$579,422May 1, 2025April 30, 2028Abraham Nitzannsf.gov
Quantum Dynamics Simulations of Polariton Photochemistry under the Collective Coupling RegimeNSFChemistry Section2026$575,998April 1, 2026March 31, 2029Pengfei Huonsf.gov
Coarse-graining InteractionsNSFChemistry Section2025$575,329May 1, 2025April 30, 2028William Noidnsf.gov
Photoinduced Proton-Coupled Electron or Energy TransferNSFChemistry Section2024$570,000August 1, 2024July 31, 2027Sharon Hammes-Schiffernsf.gov
CAREER: Developing a Computational Workflow to Quantify Atomic-level Allosteric MechanismsNSFChemistry Section2023$569,832May 1, 2023April 30, 2028Martin McCullaghnsf.gov
Theory of Single-molecule Chemical DynamicsNSFChemistry Section2024$559,842August 1, 2024July 31, 2027Dmitrii E Makarovnsf.gov
Statistical Inference of Molecular Ensembles and Application to Crystalline SolidsNSFChemistry Section2024$556,697August 1, 2024July 31, 2027Michael R Shirtsnsf.gov
Advances in Coupled Cluster TheoryNSFChemistry Section2025$551,908December 1, 2024November 30, 2027Alberto Pereznsf.gov
Collaborative Research: Understanding Spin-Forbidden Reactions Mediated by Relativistic Nuclear-Electronic Hyperfine CouplingNSFChemistry Section2025$545,607May 1, 2025April 30, 2028Laura C Mottansf.gov
Mixed Quantum-Classical Semiclassical Theory: Finding Reaction Paths in Open Quantum SystemsNSFChemistry Section2024$545,000April 1, 2024March 31, 2027Nandini Ananthnsf.gov
Molecular Response Properties from Ab Initio Quantum ElectrodynamicsNSFChemistry Section2026$544,501July 15, 2026June 30, 2029Albert E DePrincensf.gov
Quantum Manybody Dynamical Effects in Non-linear Optical SpectroscopyNSFChemistry Section2024$542,867February 15, 2024January 31, 2027Eric R Bittnernsf.gov
Simulating Macroscopic Quantum Effects of Exciton-Polaritons at Room-TemperatureNSFChemistry Section2026$540,913July 15, 2026June 30, 2029Arkajit Mandalnsf.gov
CAREER: CANOE: Classically Assisted Non-Orthogonal Eigensolvers for Early Fault-Tolerant Electronic StructureNSFChemistry Section2026$539,154July 15, 2026June 30, 2031Matthew J Ottennsf.gov
Accurate Coarse-Grained Modeling of Dynamic RNA Structure and Phase SeparationNSFChemistry Section2025$536,802June 1, 2025May 31, 2028Jianhan Chennsf.gov
Strongly Interacting Molecules and Materials: From Polarons to PolaritonsNSFDivision Of Chemistry2023$530,000May 1, 2023April 30, 2026David R Reichmannsf.gov
Quantifying the Role of Heterogeneity in Mechanisms of Chemical and Biological ProcessesNSFChemistry Section2023$530,000August 1, 2023July 31, 2026Anatoly B Kolomeiskynsf.gov
Quantum Dynamics with Nuclear Quantum Effects: a Hhierarchical Methodology for Large Molecular SystemsNSFChemistry Section2023$530,000August 1, 2023July 31, 2027Sophya Garashchuknsf.gov
Excited State Specific Correlation Methods in Quantum ChemistryNSFChemistry Section2023$530,000September 1, 2023August 31, 2027Eric Neuscammannsf.gov
Density Functional Theory of Molecular Fragments: Strong Electron Correlation Beyond Density Functional ApproximationsNSFChemistry Section2023$529,999June 15, 2023May 31, 2027Adam Wassermannsf.gov
Predictions of Properties of Matter using Physics-Based Force Fields Derived from First PrinciplesNSFChemistry Section2023$529,887June 1, 2023May 31, 2026Krzysztof Szalewicznsf.gov
Theory and Simulation of Laser-dressed Molecules and MaterialsNSFChemistry Section2024$529,482August 1, 2024July 31, 2027Ignacio Franconsf.gov
Computational Methods for Ensemble Averaged Surface-Enhanced Raman ScatteringNSFChemistry Section2023$525,848June 1, 2023May 31, 2027Lasse Jensennsf.gov
CDS&E: Chemist-Machine Collaborations for Reaction Mechanism DiscoveryNSFChemistry Section2023$521,959September 1, 2023August 31, 2027Paul Zimmermannsf.gov
Tackling Strong Correlation with Natural Determinant FunctionalsNSFChemistry Section2025$520,348August 1, 2025July 31, 2028Filipp U Furchensf.gov
State-Resolved Vibrational Spectra of Fluxional Protonated Water Clusters via Tensor Network StatesNSFChemistry Section2023$514,668June 1, 2023May 31, 2027Henrik R Larssonnsf.gov
Exploring Spectral Signatures of Molecular VibrationsNSFDivision Of Chemistry2022$510,000May 1, 2022April 30, 2026Anne B McCoynsf.gov
Statistical Mechanics of Active MatterNSFDivision Of Chemistry2022$510,000May 1, 2022April 30, 2026Grzegorz Szamelnsf.gov
Quantum Dynamics and Spectroscopy of Reactive Species in Heterogeneous EnvironmentsNSFChemistry Section2022$510,000May 1, 2022October 31, 2026Thomas E Marklandnsf.gov
Manifestation of Magnetic Field Effects in Molecular DynamicsNSFDivision Of Chemistry2022$510,000May 1, 2022April 30, 2025Xiaosong Linsf.gov
Theory and Simulation of Non-adiabatic Excited State Dynamics in Nanoscale systemsNSFDivision Of Chemistry2022$510,000May 1, 2022April 30, 2026Anna Krylovnsf.gov
Aiming for Chemical Accuracy in Ground-state Density Functional TheoryNSFDivision Of Chemistry2022$510,000May 1, 2022April 30, 2025Kieron J Burkensf.gov
Transport Coefficients, Electroelasticity, and Conductivity of ProteinsNSFDivision Of Chemistry2022$510,000May 15, 2022April 30, 2025Dmitry V Matyushovnsf.gov
New Coupled-cluster Methods for Linear and Non-linear Valence and Core-level Spectroscopy in Gas and Condensed PhaseNSFDivision Of Chemistry2022$510,000May 15, 2022October 31, 2025Anna Krylovnsf.gov
Reduced-Scaling Coupled Cluster Theory in the Frequency and Time DomainsNSFChemistry Section2022$510,000August 1, 2022July 31, 2026Thomas D Crawfordnsf.gov
Kinetic modeling of the CRISPR-Cas9 genome editing systemNSFChemistry Section2022$510,000September 1, 2022August 31, 2027Shi-Jie Chennsf.gov
Bootstrap Embedding for Molecules, Materials and ElectrocatalysisNSFDivision Of Chemistry2022$510,000May 1, 2022April 30, 2026Troy Van Voorhisnsf.gov
Calculation of Molecular Properties with Multicomponent MethodsNSFChemistry Section2024$510,000June 1, 2024May 31, 2027Kurt R Brorsennsf.gov
Wavefunction Embedding: A Toolbox for Transition Metal SpectroscopyNSFChemistry Section2024$508,776July 1, 2024June 30, 2027John M Herbertnsf.gov
Correlating Symmetry-Projected StatesNSFDivision Of Chemistry2022$508,161June 15, 2022May 31, 2025Gustavo E Scuseriansf.gov
Finite Temperature Simulation of Non-Markovian Quantum Dynamics in Condensed Phase using Quantum ComputersNSFChemistry Section2023$505,281June 1, 2023December 31, 2026Fei Wangnsf.gov
Modeling X-ray Transient Spectroscopies with Advanced Multireference MethodsNSFChemistry Section2023$501,728June 1, 2023February 28, 2027Francesco Evangelistansf.gov
Towards Predictive Coarse-grained ModelsNSFDivision Of Chemistry2022$500,746May 1, 2022April 30, 2026William Noidnsf.gov
Steady-State and Transient Properties of Strongly Correlated Single Molecule JunctionsNSFChemistry Section2022$500,000August 15, 2022July 31, 2026Daniel J Donoghuensf.gov
Hybrid Computational Models for Membrane-Protein InterfacesNSFChemistry Section2022$500,000July 15, 2022June 30, 2026Qiang Cuinsf.gov
Multi-scale Modeling of Macromolecular Liquids, and Macromolecules in SolutionNSFChemistry Section2022$500,000July 1, 2022June 30, 2027Marina G Guenzansf.gov
Theoretical Studies of Surface Reaction DynamicsNSFChemistry Section2023$500,000July 1, 2023June 30, 2027Hua Guonsf.gov
NUPACK: New Capabilities for Nucleic Acid Analysis and DesignNSFChemistry Section2023$500,000September 15, 2023August 31, 2026Niles A Piercensf.gov
MPS/CHE-EPSRC: Coherent Optical Control of Triplet Spin States in Organic Molecule Quantum EmittersNSFChemistry Section2025$500,000September 15, 2025August 31, 2028Jonathan D Hoodnsf.gov
CDS&E: Two-electron Reduced Density Matrices in Quantum Chemistry and PhysicsNSFChemistry Section2022$499,999September 1, 2022August 31, 2027David A Mazziottinsf.gov
Bethe Salpeter Equation Spectra for Very Large Systems with Thousands of Electrons or MoreNSFChemistry Section2023$499,193July 1, 2023June 30, 2027Daniel Neuhausernsf.gov
Adaptive Multi-Layer Simulations of NarK Transport ProteinNSFChemistry Section2022$497,017June 15, 2022May 31, 2026Hai Linnsf.gov
Theoretical and Computational Developments Unlocking New Possibilities for Quantum SensingNSFChemistry Section2026$491,790August 1, 2026July 31, 2029Seogjoo J Jangnsf.gov
Quantum Dynamics Approaches to Simulate Polariton PhotochemistryNSFChemistry Section2023$490,637April 1, 2023March 31, 2027Pengfei Huonsf.gov
Developing a Theoretical Framework for Quantifying Ligand-Induced Allosteric Effects in ProteinsNSFChemistry Section2024$486,845June 1, 2024May 31, 2027Xiaolin Chengnsf.gov
Quantum Chemical Methods for Studying Photon and Electron Driven ProcessesNSFChemistry Section2023$484,620April 1, 2023March 31, 2027Spiridoula Matsikansf.gov
CAREER: Computational design of nanophotonic reagentsNSFChemistry Section2023$483,976November 15, 2022September 30, 2027Jonathan J Foleynsf.gov
From Protein Structure Predictions to DynamicsNSFDivision Of Chemistry2022$481,740May 1, 2022April 30, 2026Matthias Heydennsf.gov
Quantum Master Equations for Simulating Chemical DynamicsNSFDivision Of Chemistry2022$480,000May 1, 2022April 30, 2026Eitan Gevansf.gov
Direct Calculation of Activation Energies and Entropies for Chemical DynamicsNSFChemistry Section2024$470,465June 1, 2024May 31, 2027Ward H Thompsonnsf.gov
CAREER: Minimize ab initio Tasks in Dynamics Simulations of Chemical Reactions with Active Machine LearningNSFChemistry Section2022$465,340April 1, 2022March 31, 2027Rui Sunnsf.gov
Modeling Energy Dynamics and Thermal Transport in MoleculesNSFChemistry Section2023$465,089July 1, 2023June 30, 2026David M Leitnernsf.gov
Boosting Density Embedding with Machine Learning and Nonstandard WorkflowsNSFDivision Of Chemistry2022$464,139May 1, 2022April 30, 2026Michele Pavanellonsf.gov
Periodic Coupled Cluster Methods for Optical Activity in Chiral CrystalsNSFChemistry Section2022$462,483May 1, 2022September 30, 2026Marco Caricatonsf.gov
Molecules in Classical and Quantized Fields: Developing Time-dependent Density Functional and Exact Factorization Methods for Electrons, Ions, and PhotonsNSFDivision Of Chemistry2022$460,884May 1, 2022April 30, 2026Neepa T Maitransf.gov
A Graph-based Methodology for Modeling the Nucleation of Weak ElectrolytesNSFChemistry Section2023$459,453September 1, 2023August 31, 2027Jordan R Schmidtnsf.gov
Transferable Latent Space Simulators: Generative Emulators of Protein DynamicsNSFChemistry Section2026$452,251August 1, 2026July 31, 2029Andrew Fergusonnsf.gov
Nonadiabatic Transition Probabilities: Applications in Spectroscopy, Quantum Thermodynamics, and Quantum ComputingNSFChemistry Section2022$450,100May 15, 2022July 31, 2026Katharine C Huntnsf.gov
Electronic Structure Models Using Coarse-Grained RepresentationsNSFDivision Of Chemistry2022$450,000May 1, 2022April 30, 2026Nicholas Jacksonnsf.gov
Collaborative Research: Hardware-Specific Quantum Algorithms for Path Integral Based Quantum Molecular SimulationNSFChemistry Section2026$450,000April 1, 2026March 31, 2029Nandini Ananthnsf.gov
Understanding Emission, Absorption and Energy Transfer Involving Classical and Quantum Light Interacting with MoleculesNSFChemistry Section2024$449,999March 1, 2024February 28, 2027George C Schatznsf.gov
Development of a Combined Computational and Theoretical Framework for the Prediction and Understanding of NucleationNSFChemistry Section2024$449,646August 1, 2024July 31, 2027Bin Chennsf.gov
Computational Polariton Chemistry Beyond the Single-mode ApproximationNSFChemistry Section2025$449,457May 1, 2025April 30, 2028Tao Linsf.gov
Designing Chemical Processes with Multicomponent Solvents through Self-Evolving Solubility Databases and Neural NetworksNSFChemistry Section2023$449,440August 15, 2023July 31, 2027Seonah Kimnsf.gov
Nonadiabatic Molecular Dynamics and Kinetics with Dynamical Ligand FieldNSFChemistry Section2024$446,328August 1, 2024July 31, 2027Sergey A Varganovnsf.gov
Extending the Time and Length Scale of Electronic Structure Methods Through Force MatchingNSFChemistry Section2023$440,500March 1, 2023February 28, 2027Feng Wangnsf.gov
Accurate Electronic and Vibrational Structure Calculations of Metal-Containing Small Molecules of Importance to Precision Measurement and Laser CoolingNSFPhysics Section2023$435,732September 1, 2023August 31, 2026Lan Chengnsf.gov
Reciprocal-space Models of Plasmonic Lattices: Eigenstructure and Coupling to Chiral/achiral Light and Molecular ExcitationsNSFChemistry Section2025$434,688May 1, 2025April 30, 2028David J Masiellonsf.gov
Collaborative Research: CDS&E: Adaptive Uncertainty-Driven AI for Drug Discovery: A Conformal Prediction-Simulation Loop ApproachNSFChemistry Section2026$433,182August 1, 2026July 31, 2029Yihang Wangnsf.gov
CDS&E: A Machine Learning Architecture for General, Reusable Models for Guest-Host Chemical BondingNSFDivision Of Chemistry2022$428,540May 15, 2022April 30, 2026Matthew M Montemorensf.gov
Many-Body Effects on Chirality Transfer in Layered Hybrid Organic-Inorganic PerovskitesNSFChemistry Section2024$424,443August 1, 2024July 31, 2027Diana Y Qiunsf.gov
Taking On the "Curse of Dimensionality" in Chemical Kinetics: Complex Chemical Reaction Prediction Using Manifold LearningNSFChemistry Section2022$418,678August 15, 2022July 31, 2026Dmitrij Rappoportnsf.gov
NSF-DFG Confine: MolPEC – Molecular Theory of Weak Polyelectrolytes in Confined SpaceNSFChemistry Section2022$400,000November 1, 2022October 31, 2026Jianzhong Wunsf.gov
Latent Space Simulators for the Efficient Estimation of Long-time Molecular Thermodynamics and KineticsNSFDivision Of Chemistry2022$387,874April 1, 2022March 31, 2026Andrew Fergusonnsf.gov
Minimally Empirical, First Principles-Derived Reactive Potential for Accelerated Simulations of Chemically Interacting SystemsNSFDivision Of Chemistry2022$380,340June 15, 2022December 31, 2025Alexander V Mironenkonsf.gov
Collaborative Research: Developing a Polarizable 3DRISM Implicit Solvent Model for AMOEBA Solutes to Enable Efficient and Accurate RNA SimulationsNSFChemistry Section2025$378,025May 1, 2025April 30, 2028Xuhui Huangnsf.gov
Collaborative Research: CDS&E: Theory-infused Neural Network (TinNet) for Nonadiabatic Molecular SimulationsNSFChemical, Bioengineering, Environmental, & Transport Systems2023$364,094July 1, 2023June 30, 2026Hongliang Xinnsf.gov
Collaborative Research: A Data-driven Closed-loop Framework for De Novo Generation of Molecules with Targeted PropertiesNSFDivision Of Chemistry2022$360,835May 1, 2022April 30, 2026Jian Linnsf.gov
Quantum Stereodynamics of Cold Molecular CollisionsNSFPhysics Section2024$350,546July 15, 2024June 30, 2027Balakrishnan Naduvalathnsf.gov
Collaborative Research: Developing a Polarizable 3DRISM Implicit Solvent Model for AMOEBA Solutes to Enable Efficient and Accurate RNA SimulationsNSFChemistry Section2025$349,281May 1, 2025April 30, 2028Pengyu Rennsf.gov
CAREER: Data-Driven Systematic Hierarchical ModelingNSFDivision Of Chemistry2024$343,766December 15, 2023April 30, 2026Jianing Linsf.gov
Data-informed Modeling for DNA and RNA Aptamer DesignNSFDivision Of Chemistry2022$338,355April 1, 2022March 31, 2025Petr Sulcnsf.gov
Collaborative Research: On calculating polar solvation and binding energies for non-rigid proteins in the Poisson-Boltzmann theory: modeling, analysis and applicationNSFMathematical Science Section2025$332,241September 1, 2025August 31, 2028Shan Zhaonsf.gov
Non-Born-Oppenheimer Effects in the Framework of Multicomponent Time-Dependent Density Functional TheoryNSFDivision Of Chemistry2024$314,583January 15, 2024July 31, 2024Sharon Hammes-Schiffernsf.gov
Collaborative Research: CDS&E: Adaptive Uncertainty-Driven AI for Drug Discovery: A Conformal Prediction-Simulation Loop ApproachNSFChemistry Section2026$304,067August 1, 2026November 30, 2026Lu Chengnsf.gov
Collaborative Research: Elements: Autonomous Molecular Design Cyberinfrastructure Development for Quantum ComputationNSFOffice of Advanced Cyberinfrastructure2024$300,162September 15, 2024August 31, 2027Lan Linsf.gov
Collaborative Research: Practical Strategies for Implementing Quantum Chemistry on Near-Term Quantum ComputersNSFChemistry Section2022$300,000August 1, 2022July 31, 2026Dominika Zgidnsf.gov
EAGER: Chemically-Inspired, Tunable Quantum Computing Architectures for Dynamics of Molecular SystemsNSFDivision Of Chemistry2023$300,000May 1, 2023April 30, 2025Philip Richermensf.gov
EAGER: An Agent Framework for Autonomous Scientific SimulationsNSFChemistry Section2026$300,000April 1, 2026March 31, 2028Tao Linsf.gov
Collaborative Research: Practical strategies for implementing quantum chemistry on near-term quantum computersNSFChemistry Section2022$299,999August 1, 2022July 31, 2026James K Freericksnsf.gov
Collaborative Research: Elements: Autonomous Molecular Design Cyberinfrastructure Development for Quantum ComputationNSFOffice of Advanced Cyberinfrastructure2024$299,838September 15, 2024August 31, 2027Hasan M Jamilnsf.gov
RAISE-QAC-QSA: Open Quantum Systems on Noisy Intermediate-Scale Quantum DevicesNSFDivision Of Materials Research2023$298,843August 1, 2023August 31, 2024Prineha Narangnsf.gov
CAREER: Developing Wavefunction-based Quantum Chemistry for SolidsNSFChemistry Section2025$275,247April 1, 2025November 30, 2026James Shepherdnsf.gov
CAREER: Cellular Mechanics at the Nanoscale: Lipid Membrane Elasticity and Force Transduction in Mechanosensitive ProteinsNSFDivision Of Chemistry2023$255,760May 1, 2023October 31, 2025Juan M Vanegasnsf.gov
Collaborative Research: EAGER: ADAPT: Machine Learning Thermodynamic Speed Limits for Dynamic MaterialsNSFDivision Of Chemistry2022$250,000August 15, 2022January 31, 2026Jason R Greennsf.gov
EAGER: Quantum-inspired Electronic StructureNSFChemistry Section2026$240,169July 1, 2026December 31, 2027Nicholas J Mayhallnsf.gov
Collaborative Research: Understanding Spin-Forbidden Reactions Mediated by Relativistic Nuclear-Electronic Hyperfine CouplingNSFChemistry Section2025$231,794May 1, 2025April 30, 2028Jochen Autschbachnsf.gov
Collaborative Research: CDS&E: Theory-infused Neural Network (TinNet) for Nonadiabatic Molecular SimulationsNSFChemical, Bioengineering, Environmental, & Transport Systems2023$224,847July 1, 2023June 30, 2026Jerry L LaRuensf.gov
Collaborative Research: Multi-configurational Methods for Charge Transport in Nanoscale ElectronicsNSFDivision Of Chemistry2022$222,559May 1, 2022April 30, 2026Erik P Hoynsf.gov
Collaborative Research: A Data-driven Closed-loop Framework for De Novo Generation of Molecules with Targeted PropertiesNSFDivision Of Chemistry2022$199,252May 1, 2022April 30, 2025Olexandr Isayevnsf.gov
Collaborative Research: On calculating polar solvation and binding energies for non-rigid proteins in the Poisson-Boltzmann theory: modeling, analysis and applicationNSFMathematical Science Section2025$174,976September 1, 2025August 31, 2028Emil Alexovnsf.gov
Collaborative Research:CDS&E:D3SC:Topology, Rare-event Simulation, and Machine Learning as Routes to Predicting Molecular Crystal Structures and Understanding Their Phase Behavior.NSFChemistry Section2022$165,123September 1, 2022June 30, 2026Jerome Delhommellensf.gov
RUI: Characterizing Valence, Temporary, and Non-valence Anions: Computational Methods and Photo-detachment SpectroscopyNSFChemistry Section2023$152,308July 1, 2023June 30, 2026Thomas Sommerfeldnsf.gov
Effective Computational Strategies for Transition Metal and Heavy Element SpeciesNSFChemistry Section2022$150,000August 1, 2022July 31, 2025Angela K Wilsonnsf.gov
Development and Applications of Density Functional Methods for Large SystemsNSFDivision Of Chemistry2022$150,000August 1, 2022July 31, 2024Weitao Yangnsf.gov
Theoretical Studies of Intermolecular ForcesNSFDivision Of Chemistry2022$150,000August 1, 2022July 31, 2023Krzysztof Szalewicznsf.gov
CAREER: Multiscale and Machine Learning Approaches for Electrified InterfacesNSFChemistry Section2023$124,742December 1, 2022December 31, 2026Oliviero Andreussinsf.gov
Density Functional Theory of Electronic StructureNSFDivision Of Materials Research2024$112,576February 1, 2024October 31, 2024John P Perdewnsf.gov
Collaborative Research: Multi-configurational Methods for Charge Transport in Nanoscale ElectronicsNSFDivision Of Chemistry2022$80,240May 1, 2022April 30, 2026Andrew M Sandnsf.gov
EAGER: Quantum-inspired Electronic StructureNSFDivision Of Chemistry2024$59,831July 15, 2024August 31, 2026Nicholas J Mayhallnsf.gov
Conference: Addressing Challenges in Ultrafast Photochemistry and Photocatalysis: Opportunities for Theory and ExperimentNSFChemistry Section2025$49,916September 15, 2025August 31, 2026Lawrence R Bakernsf.gov
Conference: Winter School on Open Quantum Systems and Quantum Information in the Chemical SciencesNSFChemistry Section2025$49,073September 1, 2025August 31, 2026Doran I Raccahnsf.gov
Conference: 2024 Foundations of Molecular Modeling and Simulation Conference (FOMMS)NSFDivision Of Chemistry2024$29,825May 15, 2024November 30, 2024Evan Flachnsf.gov
CAREER: Simulating Mesoscale Quantum Dynamics and Non-linear MicroscopyNSFDivision Of Chemistry2022$20,133February 1, 2022August 31, 2023Doran I Raccahnsf.gov
Conference: Third US School and Workshop on Theory and Applications of TDDFTNSFDivision Of Materials Research2023$10,000June 1, 2023May 31, 2024Carsten A Ullrichnsf.gov

Organizations

OrganizationPlaceNIH awardsNIH amountNSF awardsNSF amount
University of Texas at AustinAustin, TX0$06$3.2 million
University of ChicagoChicago, IL0$05$2.8 million
University of California-IrvineIrvine, CA0$05$2.8 million
University of Wisconsin-MadisonMadison, WI0$05$2.6 million
University of California-BerkeleyBerkeley, CA0$04$2.4 million
Oregon State UniversityCorvallis, OR0$03$2.4 million
University of Southern CaliforniaLos Angeles, CA0$04$2.3 million
Georgia Tech Research CorporationAtlanta, GA0$02$2.2 million
University of WashingtonSeattle, WA0$04$2.1 million
Purdue UniversityWest Lafayette, IN0$04$2 million
Arizona State UniversityScottsdale, AZ0$04$1.9 million
University of FloridaGainesville, FL0$03$1.9 million
California Institute of TechnologyPasadena, CA0$02$1.9 million
Yale UniversityNew Haven, CT0$03$1.8 million
Emory UniversityAtlanta, GA0$03$1.7 million
Northwestern University at ChicagoChicago, IL0$03$1.7 million
Ohio State UniversityColumbus, OH0$04$1.7 million
Pennsylvania State Univ University ParkUniversity Park, PA0$03$1.6 million
University of RochesterRochester, NY0$03$1.6 million
Princeton UniversityPrinceton, NJ0$03$1.6 million
Colorado State UniversityFort Collins, CO0$03$1.6 million
Virginia Polytechnic Institute and State UniversityBlacksburg, VA0$04$1.5 million
University of Illinois at Urbana-ChampaignUrbana, IL0$03$1.4 million
University of DelawareNewark, DE0$04$1.4 million
University of Missouri-ColumbiaColumbia, MO0$04$1.4 million
University of Michigan at Ann ArborAnn Arbor, MI0$03$1.3 million
Tulane University of LouisianaNew Orleans, LA0$03$1.3 million
University of Colorado at BoulderBoulder, CO0$02$1.3 million
Indiana UniversityBloomington, IN0$03$1.2 million
University of California - MercedMerced, CA0$02$1.2 million
Columbia UniversityNew York, NY0$02$1.2 million
Stanford UniversityStanford, CA0$02$1.2 million
Texas A&M UniversityCollege Station, TX0$02$1.2 million
Massachusetts Institute of TechnologyCambridge, MA0$02$1.2 million
University of California, San DiegoLa Jolla, CA0$02$1.1 million
University of New MexicoAlbuquerque, NM0$02$1.1 million
Case Western Reserve UniversityCleveland, OH0$02$1.1 million
William Marsh Rice UniversityHouston, TX0$02$1 million
Cornell UniversityIthaca, NY0$02$995,000
University of Kansas Center for Research IncLawrence, KS0$02$932,948
Rutgers University NewarkNewark, NJ0$02$925,023
Board of Regents, NSHE, obo University of Nevada, RenoReno, NV0$02$911,417
Michigan State UniversityEast Lansing, MI0$03$875,347
New York UniversityNew York, NY0$01$802,604
Rowan UniversityGlassboro, NJ0$02$802,559
Carnegie Mellon UniversityPittsburgh, PA0$02$799,252
University of California Los AngelesLos Angeles, CA0$02$798,036
University of Notre DameNotre Dame, IN0$01$700,000
University of California-Santa CruzSanta Cruz, CA0$01$698,003
Clarkson UniversityPotsdam, NY0$01$697,770
University of Maryland, College ParkCollege Park, MD0$01$692,909
Southern Methodist UniversityDallas, TX0$02$670,133
University of Maryland Baltimore CountyBaltimore, MD0$01$665,209
University of California at DavisDavis, CA0$01$660,000
Virginia Commonwealth UniversityRichmond, VA0$01$653,043
University of LouisvilleLouisville, KY0$01$650,000
University of MemphisMemphis, TN0$01$649,414
Harvey Mudd CollegeClaremont, CA0$01$618,912
Wayne State UniversityDetroit, MI0$01$600,000
SUNY at Stony BrookStony Brook, NY0$01$600,000
University of IowaIowa City, IA0$01$596,090
University of PennsylvaniaPhiladelphia, PA0$01$579,422
Oklahoma State UniversityStillwater, OK0$01$569,832
Woods Hole Oceanographic InstitutionWoods Hole, MA0$01$545,607
Florida State UniversityTallahassee, FL0$01$544,501
University of HoustonHouston, TX0$01$542,867
University of Massachusetts AmherstAmherst, MA0$01$536,802
University of South Carolina at ColumbiaColumbia, SC0$01$530,000
George Mason UniversityFairfax, VA0$01$505,281
Trustees of Boston UniversityBoston, MA0$01$500,000
University of Oregon EugeneEugene, OR0$01$500,000
University of Colorado at Denver-Downtown CampusDenver, CO0$01$497,017
CUNY Queens CollegeFlushing, NY0$01$491,790
Temple Univ of the CommonwealthPhiladelphia, PA0$01$484,620
University of North Carolina at CharlotteCharlotte, NC0$01$483,976
University of HawaiiHonolulu, HI0$01$465,340
Louisiana State UniversityBaton Rouge, LA0$01$449,646
University of ArkansasFayetteville, AR0$01$440,500
Johns Hopkins UniversityBaltimore, MD0$01$435,732
Boise State UniversityBoise, ID0$02$424,904
University of California-RiversideRiverside, CA0$01$400,000
University of Nevada Las VegasLas Vegas, NV0$01$350,546
University of Alabama TuscaloosaTuscaloosa, AL0$01$332,241
University of Illinois at ChicagoChicago, IL0$01$304,067
Georgetown UniversityWashington, DC0$01$299,999
Regents of the University of IdahoMoscow, ID0$01$299,838
University of Massachusetts BostonDorchester, MA0$01$250,000
SUNY at BuffaloAmherst, NY0$01$231,794
Chapman UniversityOrange, CA0$01$224,847
Clemson UniversityClemson, SC0$01$174,976
University of Massachusetts LowellLowell, MA0$01$165,123
Southeastern Louisiana UniversityHammond, LA0$01$152,308
Duke UniversityDurham, NC0$01$150,000
Butler UniversityIndianapolis, IN0$01$80,240
American Institute of Chemical EngineersNew York, NY0$01$29,825

Funding by fiscal year

Fiscal yearNIH awardsNIH amountNSF awardsNSF amount
20260$022$12,908,351
20250$041$22,929,957
20240$041$19,277,957
20230$048$20,380,404
20220$049$16,898,944

Open federal funding opportunities

From Grants.gov: notices that funded awards in this table, and open notices on the same agency and assistance listing.

Open opportunityNumberAgencyListingClosesAward ceilingWhy it matches
Unlocking Dataset Value for AI-Enabled Scientific Discovery (AI Datasets)26-512NSF47.049November 4, 2026Not listedSame assistance listing 47.049 as 184 awards here
Astronomy and Astrophysics Research Grants22-624NSF47.049November 16, 2026Not listedSame assistance listing 47.049 as 184 awards here
Applied MathematicsPD-16-1266NSF47.049November 16, 2026Not listedSame assistance listing 47.049 as 184 awards here
Plasma PhysicsPD-23-1242NSF47.049November 16, 2026Not listedSame assistance listing 47.049 as 184 awards here
National Science Foundation Translation to Practice (NSF TTP)25-540NSF47.049November 17, 2026$2 millionSame assistance listing 47.049 as 184 awards here
Computational MathematicsPD-16-1271NSF47.049December 1, 2026$1.2 millionSame assistance listing 47.049 as 184 awards here
StatisticsPD-18-1269NSF47.049December 15, 2026Not listedSame assistance listing 47.049 as 184 awards here
Training-based Workforce Development for Advanced Cyberinfrastructure23-520NSF47.049January 21, 2027$1 millionSame assistance listing 47.049 as 184 awards here
Security, Privacy, and Trust in Cyberspace (NSF SaTC)25-515NSF47.049January 25, 2027$1.2 millionSame assistance listing 47.049 as 184 awards here
EPSCoR Research Infrastructure Improvement Program: Focused EPSCoR Collaborations (FEC)24-573NSF47.049January 26, 2027$1.5 millionSame assistance listing 47.049 as 184 awards here
Mathematical Sciences Infrastructure ProgramPD-20-1260NSF47.049February 2, 2027Not listedSame assistance listing 47.049 as 184 awards here
GROWING CONVERGENCE RESEARCH (GCR)24-527NSF47.049February 8, 2027$3.6 millionSame assistance listing 47.049 as 184 awards here
Mid-scale Research Infrastructure-124-598NSF47.049February 8, 2027$20 millionSame assistance listing 47.049 as 184 awards here
EMERGING FRONTIERS IN RESEARCH AND INNOVATION (EFRI-2026/27): Wave-Based Computing ( EFRI-WBC)26-524NSF47.049February 11, 2027Not listedSame assistance listing 47.049 as 184 awards here
Pathways to Enable Secure Open-Source Ecosystems (PESOSE)26-506NSF47.049March 2, 2027Not listedSame assistance listing 47.049 as 184 awards here
NSF National Quantum Virtual Laboratory (NQVL)24-586NSF47.049April 6, 2027Not listedSame assistance listing 47.049 as 184 awards here
EPSCoR Research Infrastructure Improvement (RII): EPSCoR Research Fellows24-528NSF47.049April 13, 2027Not listedSame assistance listing 47.049 as 184 awards here
Findable Accessible Interoperable Reusable Open Science (FAIROS)25-533NSF47.049April 14, 2027Not listedSame assistance listing 47.049 as 184 awards here
EPSCoR Graduate Fellowship Program (EGFP)24-588NSF47.049June 1, 2027$3.2 millionSame assistance listing 47.049 as 184 awards here
Faculty Early Career Development Program (CAREER)22-586NSF47.049July 28, 2027Not listedSame assistance listing 47.049 as 184 awards here

Updated November 4, 2026. Read from NIH RePORTER ExPORTER and NSF Award Search. Published by NIH and NSF as U.S. government data. NIH awards are fiscal years 2021 to 2025 (NIH files published to 2026-07-09); NSF awards are fiscal years 2022 to 2026 (NSF files published to 2026-11-04). NIH amounts are the total cost of each fiscal year in the window; NSF amounts are the funds obligated in the window. Organizations are matched on the UEI. Open opportunities come from Grants.gov and match on agency and assistance listing number, and on the notice number NIH prints on an award. Free to reuse with credit to SpecStream under CC BY 4.0. Spot a wrong value? Write to [email protected] with the link to this page.