标题
GPU accelerated implementation of NCI calculations using promolecular density
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 38, Issue 14, Pages 1071-1083
出版商
Wiley
发表日期
2017-03-25
DOI
10.1002/jcc.24786
参考文献
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- (2016) James W. Snyder et al. Journal of Physical Chemistry Letters
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- (2015) Carsten Kutzner et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals
- (2015) Sergey Kazachenko et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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- (2015) Gabriele Saleh et al. Computational and Theoretical Chemistry
- Noncovalent Interaction Analysis in Fluctuating Environments
- (2013) Pan Wu et al. Journal of Chemical Theory and Computation
- Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald
- (2013) Romelia Salomon-Ferrer et al. Journal of Chemical Theory and Computation
- AlgoGen: A tool coupling a linear-scaling quantum method with a genetic algorithm for exploring non-covalent interactions
- (2013) C. Barberot et al. Computational and Theoretical Chemistry
- HappyJIT
- (2012) Andrei Homescu et al. ACM SIGPLAN NOTICES
- Semiempirical Quantum Chemical Calculations Accelerated on a Hybrid Multicore CPU–GPU Computing Platform
- (2012) Xin Wu et al. Journal of Chemical Theory and Computation
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- NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
- (2011) Julia Contreras-García et al. Journal of Chemical Theory and Computation
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- (2011) Julia Contreras-García et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Revealing Noncovalent Interactions
- (2010) Erin R. Johnson et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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