C. David Sherrill
1998–2025 年に発表
- 65
- 論文数
- 21,421
- 被引用数
- 47
- h 指数
- 60
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Physics and Astronomy19.9%
- Biochemistry, Genetics and Molecular Biology17.8%
- Chemistry17.8%
- Materials Science15.5%
- Computer Science14%
- Medicine5.5%
- その他9.5%
トピック
- Advanced Chemical Physics Studies8.4%
- Computational Drug Discovery Methods5.8%
- Protein Structure and Dynamics5.8%
- Machine Learning in Materials Science5.5%
- Spectroscopy and Quantum Chemical Studies5%
- Crystallography and molecular interactions4.8%
- その他64.7%
共著者
- Edward G. Hohenstein17
- Lori A. Burns12
- Robert M. Parrish9
- Daniel L. Cheney8
- Asem Alenaizan7
- Henry F. Schaefer7
- Zachary L. Glick7
- Daniel G. A. Smith6
- Derek P. Metcalf6
- Michael S. Marshall6
- Mutasem Omar Sinnokrot6
- Steven A. Spronk6
- Alexios Koutsoukas5
- Andrew C. Simmonett5
- A. Eugene DePrince4
- Anna I. Krylov4
- Edward F. C. Byrd4
- Edward F. Valeev4
- Jeffrey B. Schriber4
- Justin M. Turney4
- Konrad Patkowski4
- Matthew L. Leininger4
- Rollin A. King4
- T. Daniel Crawford4
全論文
- P SI4 1.4: Open-source software for high-throughput quantum chemistry
著者: Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett, Robert M. Parrish, Matthew Cole Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew M. James, Susi Lehtola, Jonathon P. Misiewicz, Maximilian Scheurer, Robert A. Shaw, Jeffrey B. Schriber, Yi Xie, Zachary L. Glick, Dominic A. Sirianni, Joseph O'Brien, Jonathan M. Waldrop, Ashutosh Kumar, Edward G. Hohenstein, Benjamin P. Pritchard, Bernard R. Brooks, Henry F. Schaefer, Alexander Yu. Sokolov, Konrad Patkowski, A. Eugene DePrince, Uğur Bozkaya, Rollin A. King, Francesco A. Evangelista, Justin M. Turney, T. Daniel Crawford, C. David Sherrill - The Journal of Chemical Physics 2020 被引用: 1,001
- Advances in methods and algorithms in a modern quantum chemistry program package
著者: Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, Jörg Kußmann, Christian Ochsenfeld, Shawn T. Brown, Andrew T. B. Gilbert, Lyudmila V. Slipchenko, Sergey V. Levchenko, D.P. O'Neill, Robert A. DiStasio, Rohini C. Lochan, Tao Wang, Gregory J. O. Beran, Nicholas A. Besley, John M. Herbert, Ching Yeh Lin, Troy Van Voorhis, Siu Hung Chien, Alexander J. Sodt, Ryan P. Steele, Vitaly A. Rassolov, Paul E. Maslen, Prakashan Korambath, Ross D. Adamson, Brian Austin, Jon Baker, Edward F. C. Byrd, Holger Dachsel, Robert J. Doerksen, Andreas Dreuw, Barry D. Dunietz, Anthony D. Dutoi, Thomas R. Furlani, Steven R. Gwaltney, Andreas Heyden, So Hirata, Chao‐Ping Hsu, Gary S. Kedziora, Rustam Z. Khalliulin, Phil Klunzinger, Aaron M. Lee, Michael S. Lee, WanZhen Liang, Itay Lotan, Nikhil U. Nair, Baron Peters, Emil Proynov, Piotr A. Pieniazek, Young Min Rhee, Jim Ritchie, Edina Rosta, C. David Sherrill, Andrew C. Simmonett, Joseph E. Subotnik, H. Lee Woodcock, Wei-Min Zhang, Alexis T. Bell, Arup K. Chakraborty, Daniel M. Chipman, Frerich J. Keil, Arieh Warshel, Warren J. Hehre, Henry F. Schaefer, Jing Kong, Anna I. Krylov, Peter M. W. Gill, Martin Head‐Gordon - Physical Chemistry Chemical Physics 2006 被引用: 2,800
- Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
著者: Robert M. Parrish, Lori A. Burns, Daniel G. A. Smith, Andrew C. Simmonett, A. Eugene DePrince, Edward G. Hohenstein, Uğur Bozkaya, Alexander Yu. Sokolov, Roberto Di Remigio, Ryan M. Richard, Jérôme F. Gonthier, Andrew M. James, Harley R. McAlexander, Ashutosh Kumar, Masaaki Saitow, Xiao Wang, Benjamin P. Pritchard, Prakash Verma, Henry F. Schaefer, Konrad Patkowski, Rollin A. King, Edward F. Valeev, Francesco A. Evangelista, Justin M. Turney, T. Daniel Crawford, C. David Sherrill - Journal of Chemical Theory and Computation 2017 被引用: 1,245
- Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies
著者: Trent M. Parker, Lori A. Burns, Robert M. Parrish, Alden G. Ryno, C. David Sherrill - The Journal of Chemical Physics 2014 被引用: 904
- Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules
著者: Edward G. Hohenstein, Samuel T. Chill, C. David Sherrill - Journal of Chemical Theory and Computation 2008 被引用: 898
- Psi4: an open‐source ab initio electronic structure program
著者: Justin M. Turney, Andrew C. Simmonett, Robert M. Parrish, Edward G. Hohenstein, Francesco A. Evangelista, Justin T. Fermann, Benjamin Mintz, Lori A. Burns, Jeremiah J Wilke, Micah L. Abrams, Nicholas J. Russ, Matthew L. Leininger, Curtis L. Janssen, Edward T. Seidl, Wesley D. Allen, Henry F. Schaefer, Rollin A. King, Edward F. Valeev, C. David Sherrill, T. Daniel Crawford - Wiley Interdisciplinary Reviews Computational Molecular Science 2011 被引用: 1,076
- The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions
著者: Lori A. Burns, John C. Faver, Zheng Zheng, Michael S. Marshall, Daniel G. A. Smith, Kenno Vanommeslaeghe, Alexander D. MacKerell, Kenneth M. Merz, C. David Sherrill - The Journal of Chemical Physics 2017 被引用: 134
- AP-Net: An Atomic-Pairwise Neural Network for Smooth and Transferable Interaction Potentials
著者: Zachary L. Glick, Derek P. Metcalf, Alexios Koutsoukas, Steven A. Spronk, Daniel L. Cheney, C. David Sherrill - The Journal of Chemical Physics 2020 被引用: 72
- Wavefunction methods for noncovalent interactions
著者: Edward G. Hohenstein, C. David Sherrill - Wiley Interdisciplinary Reviews Computational Molecular Science 2011 被引用: 481
- Energy Component Analysis of π Interactions
著者: C. David Sherrill - Accounts of Chemical Research 2012 被引用: 377
- Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory
著者: Daniel G. A. Smith, Lori A. Burns, Konrad Patkowski, C. David Sherrill - The Journal of Physical Chemistry Letters 2016 被引用: 553
- Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
著者: Daniel G. A. Smith, Annabelle Lolinco, Zachary L. Glick, Jiyoung Lee, Asem Alenaizan, Taylor Barnes, Carlos H. Borca, Roberto Di Remigio, David Dotson, Sebastian Ehlert, Alexander G. Heide, Michael F. Herbst, Jan Hermann, Colton B. Hicks, Joshua T. Horton, Adrian G. Hurtado, Peter Kraus, Holger Kruse, Sebastian J. R. Lee, Jonathon P. Misiewicz, Levi N. Naden, Farhad Ramezanghorbani, Maximilian Scheurer, Jeffrey B. Schriber, Andrew C. Simmonett, Johannes Steinmetzer, Jeffrey Wagner, Logan Ward, Matthew Welborn, Doaa Altarawy, Jamshed Anwar, John D. Chodera, Andreas Dreuw, Heather J. Kulik, Fang Liu, Todd J. Martı́nez, Devin A. Matthews, Henry F. Schaefer, Jiřı́ Šponer, Justin M. Turney, Lee‐Ping Wang, Nuwan De Silva, Rollin A. King, John F. Stanton, Mark S. Gordon, Theresa L. Windus, C. David Sherrill, Lori A. Burns - The Journal of Chemical Physics 2021 被引用: 45
- The Configuration Interaction Method: Advances in Highly Correlated Approaches
著者: C. David Sherrill, Henry F. Schaefer - Advances in quantum chemistry 1999 被引用: 441
- Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory
著者: Edward G. Hohenstein, C. David Sherrill - The Journal of Chemical Physics 2010 被引用: 310
- Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition
著者: Robert M. Parrish, Trent M. Parker, C. David Sherrill - Journal of Chemical Theory and Computation 2014 被引用: 152
- Tensor hypercontraction. II. Least-squares renormalization
著者: Robert M. Parrish, Edward G. Hohenstein, Todd J. Martı́nez, C. David Sherrill - The Journal of Chemical Physics 2012 被引用: 239
- Estimates of the Ab Initio Limit for π−π Interactions: The Benzene Dimer
著者: Mutasem Omar Sinnokrot, Edward F. Valeev, C. David Sherrill - Journal of the American Chemical Society 2002 被引用: 1,313
- Substituent Effects in π−π Interactions: Sandwich and T-Shaped Configurations
著者: Mutasem Omar Sinnokrot, C. David Sherrill - Journal of the American Chemical Society 2004 被引用: 678
- Models of S/π interactions in protein structures: Comparison of the H2S–benzene complex with PDB data
著者: Ashley Ringer McDonald, Anastasia Senenko, C. David Sherrill - Protein Science 2007 被引用: 194
- Electronic structure software
著者: C. David Sherrill, David E. Manolopoulos, Todd J. Martı́nez, Angelos Michaelides - The Journal of Chemical Physics 2020 被引用: 60
- Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge
著者: Derek P. Metcalf, Andy Jiang, Steven A. Spronk, Daniel L. Cheney, C. David Sherrill - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2020 被引用: 40
- Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals
著者: Lori A. Burns, Álvaro Vázquez Mayagoitia, Bobby G. Sumpter, C. David Sherrill - The Journal of Chemical Physics 2011 被引用: 732
- Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: Implementation and application to probe the nature of π-π interactions in linear acenes
著者: Edward G. Hohenstein, C. David Sherrill - The Journal of Chemical Physics 2010 被引用: 347
- Python implementation of the restrained electrostatic potential charge model
著者: Asem Alenaizan, Lori A. Burns, C. David Sherrill - International Journal of Quantum Chemistry 2019 被引用: 48
