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Proceedings of the National Academy of Sciences of the United States of America
|
May 16, 2019
Unsupervised determination of protein crystal structures
Ivan S Ufimtsev, Michael Levitt
Journal of Chemical Theory and Computation
|
December 2, 2015
Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation
Ivan S Ufimtsev, Todd J Martínez
Journal of Chemical Theory and Computation
|
November 27, 2015
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
December 4, 2015
Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
November 27, 2015
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) Implementation
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
November 26, 2015
Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)
Nathan Luehr, Ivan S Ufimtsev, Todd J Martínez
Proceedings of the National Academy of Sciences of the United States of America
|
May 16, 2019
Solving the structure of Lgl2, a difficult blind test of unsupervised structure determination
Ivan S Ufimtsev, Lior Almagor, William I Weis, et al.
Journal of Chemical Theory and Computation
|
June 21, 2011
Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units
Christine M Isborn, Nathan Luehr, Ivan S Ufimtsev, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Generating Efficient Quantum Chemistry Codes for Novel Architectures
Alexey V Titov, Ivan S Ufimtsev, Nathan Luehr, et al.
Journal of Molecular Graphics & Modelling
|
August 3, 2010
GPU-accelerated molecular modeling coming of age
John E Stone, David J Hardy, Ivan S Ufimtsev, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Proceedings of the National Academy of Sciences of the United States of America
|
May 16, 2019
Unsupervised determination of protein crystal structures
Ivan S Ufimtsev, Michael Levitt
Journal of Chemical Theory and Computation
|
December 2, 2015
Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation
Ivan S Ufimtsev, Todd J Martínez
Journal of Chemical Theory and Computation
|
November 27, 2015
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
December 4, 2015
Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
November 27, 2015
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) Implementation
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
November 26, 2015
Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)
Nathan Luehr, Ivan S Ufimtsev, Todd J Martínez
Proceedings of the National Academy of Sciences of the United States of America
|
May 16, 2019
Solving the structure of Lgl2, a difficult blind test of unsupervised structure determination
Ivan S Ufimtsev, Lior Almagor, William I Weis, et al.
Journal of Chemical Theory and Computation
|
June 21, 2011
Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units
Christine M Isborn, Nathan Luehr, Ivan S Ufimtsev, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Generating Efficient Quantum Chemistry Codes for Novel Architectures
Alexey V Titov, Ivan S Ufimtsev, Nathan Luehr, et al.
Journal of Molecular Graphics & Modelling
|
August 3, 2010
GPU-accelerated molecular modeling coming of age
John E Stone, David J Hardy, Ivan S Ufimtsev, et al.
Page
of 2