Projects per year
Search results
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Active
Spectroscopic Measurements for Recombination Modeling in High-Enthalpy Expanding Flows
Schwartzentruber, T. E. (PI), Candler, G. V. (CoI) & Truhlar, D. G. (CoI)
CALIFORNIA INSTITUTE OF TECHNOLOGY, USDOD AIR FORCE
9/1/23 → 8/31/25
Project: Research project
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Catalyst Design for Decarbonization Center (CD4DC)
Truhlar, D. G. (PI) & Neurock, M. (CoI)
UNIVERSITY OF CHICAGO, U.S. DEPARTMENT OF ENERGY (USDOE)
8/1/22 → 7/31/25
Project: Research project
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Multiconfiguration Pair-Density Functional Theory for Magnetic Systems
Truhlar, D. G. (PI)
9/15/20 → 2/14/26
Project: Research project
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Finished
Multiconfiguration Pair-Density Functional Theory for Spectroscopy and Photochemistry
Truhlar, D. G. (PI)
UNIVERSITY OF CHICAGO, THE NATIONAL SCIENCE FOUNDATION
8/1/21 → 7/31/24
Project: Research project
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Multi-configuration pair-density functional theory for c
Gagliardi, L. (PI) & Truhlar, D. G. (CoI)
THE NATIONAL SCIENCE FOUNDATION
8/1/18 → 7/31/21
Project: Research project
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NMGC: Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 2)
Siepmann, I. (PI), Cramer, C. (CoI), Gagliardi, L. (CoI), Truhlar, D. G. (CoI), Tsapatsis, M. (CoI) & Goodpaster, J. D. (CoI)
U.S. DEPARTMENT OF ENERGY (USDOE)
9/1/17 → 8/31/21
Project: Research project
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Nonadiabatic Photochemistry
Truhlar, D. G. (PI)
THE UNIVERSITY OF NEW MEXICO, U.S. DEPARTMENT OF ENERGY (USDOE)
4/15/16 → 4/14/25
Project: Research project
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Nonequilibrium Kinetics in High-Enthalpy Air
Schwartzentruber, T. E. (PI), Candler, G. V. (CoI) & Truhlar, D. G. (CoI)
2/1/16 → 1/31/19
Project: Research project
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Multi-Configuration Pair-Density Functional Theory
Gagliardi, L. (PI) & Truhlar, D. G. (CoI)
THE NATIONAL SCIENCE FOUNDATION
7/1/15 → 6/30/18
Project: Research project
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Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)
Gagliardi, L. (PI), Cramer, C. (CoI), Lu, C. C. (CoI), Penn, L. (CoI), Stein, A. (CoI) & Truhlar, D. G. (CoI)
U.S. DEPARTMENT OF ENERGY (USDOE)
8/1/14 → 7/31/18
Project: Research project
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Reduced Heat Flux Through Preferential Surface Reactions
Schwartzentruber, T. E. (PI) & Truhlar, D. G. (CoI)
9/30/12 → 11/30/15
Project: Research project
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Predictive Hierarchical Modeling of Chemical Separations
Siepmann, I. (PI), Cramer, C. (CoI), Gagliardi, L. (CoI), Truhlar, D. G. (CoI) & Tsapatsis, M. (CoI)
9/1/12 → 6/30/23
Project: Research project
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NMGC: Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 1)
Siepmann, I. (PI), Cramer, C. (CoI), Gagliardi, L. (CoI), Truhlar, D. G. (CoI), Tsapatsis, M. (CoI) & Goodpaster, J. D. (CoI)
9/1/12 → 8/31/17
Project: Research project
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Computation-Guided Synthetic Strategies for Nanocomposit
Stein, A. (PI), Smyrl, W. H. (CoI) & Truhlar, D. G. (CoI)
U.S. DEPARTMENT OF ENERGY (USDOE)
9/1/12 → 12/31/16
Project: Research project
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Developing Advanced Methods for Excited State Chemistry
Cramer, C. (PI), Gagliardi, L. (CoI), Siepmann, I. (CoI) & Truhlar, D. G. (CoI)
U.S. DEPARTMENT OF ENERGY (USDOE)
9/1/12 → 8/31/17
Project: Research project
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Orbital-Dependent Density Functionals for Chemical Catal
Truhlar, D. G. (PI)
6/15/11 → 6/14/14
Project: Research project
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Fundamental Processes in High-Temperature Hypersonic Flo
Candler, G. V. (PI), Schwartzentruber, T. E. (CoI) & Truhlar, D. G. (CoI)
9/30/10 → 9/30/16
Project: Research project
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CDI-Type I: Development of computational algorithms and
Siepmann, I. (PI), McMurry, P. H. (CoI) & Truhlar, D. G. (CoI)
THE NATIONAL SCIENCE FOUNDATION
9/15/10 → 8/31/14
Project: Research project
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Studies of Nanometer Scale Metal Cluster Dissociation in
Hogan, C. (PI), Girshick, S. L. (CoI) & Truhlar, D. G. (CoI)
THE NATIONAL SCIENCE FOUNDATION
7/1/10 → 6/30/14
Project: Research project
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New Methods for Incorporating Quantum Mechanics in the T
Truhlar, D. G. (PI)
THE NATIONAL SCIENCE FOUNDATION
5/1/10 → 4/30/13
Project: Research project
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A New Paradigm for Biomolecular Simulations
Gao, J. (PI) & Truhlar, D. G. (CoI)
NIH NIGMS NATL INST OF GENERAL
9/30/09 → 8/31/12
Project: Research project
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Energy Frontier Research Center for Combustion Science
Truhlar, D. G. (PI)
PRINCETON UNIVERSITY, U.S. DEPARTMENT OF ENERGY (USDOE)
8/1/09 → 7/31/16
Project: Research project
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Enabling Computational Technologies for the Accurate Pre
Cramer, C. (PI) & Truhlar, D. G. (CoI)
7/14/09 → 7/13/13
Project: Research project
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Orbital-Dependent Density Functionals for Chemical Catal
Truhlar, D. G. (PI)
4/1/08 → 11/30/10
Project: Research project
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Chemically Controlled Assembly of Therapeutic Protein Na
Wagner, C. R. (PI), Ambrose, E. A. (CoI), Vallera, D. A. (CoI), Lodge, T. (Other Role), Siegel, R. A. (Other Role) & Truhlar, D. G. (Other Role)
NIH NATIONAL CANCER INSTITUTE (NCI)
9/21/07 → 7/31/11
Project: Research project
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Quantum Mechanical Structure and Dynamics of Complex Sys
Truhlar, D. G. (PI)
THE NATIONAL SCIENCE FOUNDATION
5/1/07 → 4/30/11
Project: Research project
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Integrated Tools for Computational Chemical Dynamics
Truhlar, D. G. (PI)
2/9/05 → 9/30/11
Project: Research project
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ITR (ASE) - (sim): Collaborative Project: Virtual Labora
Wentzcovitch, R. M. (PI), Saad, Y. (CoI), Siepmann, I. (CoI), Truhlar, D. G. (CoI) & Yuen, D. A. (CoI)
THE NATIONAL SCIENCE FOUNDATION
10/1/04 → 9/30/10
Project: Research project
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Neuro-physical-computational Sciences Graduate Training
Ebner, T. J. (PI) & Truhlar, D. G. (CoI)
NIH NATL INST OF DIABETES/DIG/KIDNEY DIS
9/30/04 → 7/31/10
Project: Research project
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Neuro-physical-computational science graduate training
Ebner, T. J. (PI) & Truhlar, D. G. (CoI)
NIH NATL INST OF DIABETES/DIG/KIDNEY DIS
9/30/04 → 7/31/10
Project: Research project
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MURI: Accurate Theoretical Predictions of the Properties
Truhlar, D. G. (PI)
UNIVERSITY OF MISSOURI, US DEPT OF DEFENSE ARMY
6/1/04 → 6/30/08
Project: Research project
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Quantum Mechanical Effects in Complex Systems
Truhlar, D. G. (PI)
THE NATIONAL SCIENCE FOUNDATION
4/1/04 → 4/30/08
Project: Research project
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Variational Transition State Theory
Truhlar, D. G. (PI)
U.S. DEPARTMENT OF ENERGY (USDOE)
7/1/99 → 5/31/16
Project: Research project