C David Sherrill (C D Sherrill)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 50

Top Venues

The Journal of chemical physics

Journal of chemical information and modeling

Journal of chemical theory and computation

Journal of the American Chemical Society

Georgia Institute of Technology

University of Georgia (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Georgia Institute of Technology Jul 01 2008

United States

Professor :: School of Chemistry and Biochemistry, and School of Computational Science and Engineering

Georgia Institute of Technology Jul 01 2005 - Jun 30 2008

United States

Associate Professor :: School of Chemistry and Biochemistry

Georgia Institute of Technology Aug 01 1999 - Jun 30 2005

United States

Assistant Professor

Education History

University of Georgia Aug 01 1992 - Jul 01 1996

United States

PHD :: Chemistry

Massachusetts Institute of Technology Aug 01 1988 - Jun 01 1992

United States

BSC :: Chemistry

Publications

Derek P Metcalf, Zachary L Glick, Andrea Bortolato, Andy Jiang, Daniel L Cheney, C David Sherrill
Directional Δ G Neural Network (DrΔ G -Net): A Modular Neural Network Approach to Binding Free Energy Prediction. Journal of chemical information and modeling 64 (6) (2024)
Derek P Metcalf, Zachary L Glick, Andrea Bortolato, Andy Jiang, Daniel L Cheney, C David Sherrill
Directional Δ G Neural Network (DrΔ G -Net): A Modular Neural Network Approach to Binding Free Energy Prediction. Journal of chemical information and modeling (2024)
Zachary L Glick, Derek P Metcalf, Caroline S Glick, Steven A Spronk, Alexios Koutsoukas, Daniel L Cheney, C David Sherrill
A physics-aware neural network for protein-ligand interactions with quantum chemical accuracy. Chemical science 15 (33) (2024)
Derek P Metcalf, Zachary L Glick, Andrea Bortolato, Andy Jiang, Daniel L Cheney, C David Sherrill
Directional Δ G Neural Network (DrΔ G -Net): A Modular Neural Network Approach to Binding Free Energy Prediction. Journal of chemical information and modeling 64 (6) (2024)
Derek P Metcalf, Zachary L Glick, Andrea Bortolato, Andy Jiang, Daniel L Cheney, C David Sherrill
Directional Δ G Neural Network (DrΔ G -Net): A Modular Neural Network Approach to Binding Free Energy Prediction. Journal of chemical information and modeling 64 (6) (2024)
Zachary L Glick, Derek P Metcalf, Caroline S Glick, Steven A Spronk, Alexios Koutsoukas, Daniel L Cheney, C David Sherrill
A physics-aware neural network for protein-ligand interactions with quantum chemical accuracy. Chemical science 15 (33) (2024)
Derek P Metcalf, Zachary L Glick, Andrea Bortolato, Andy Jiang, Daniel L Cheney, C David Sherrill
Directional Δ G Neural Network (DrΔ G -Net): A Modular Neural Network Approach to Binding Free Energy Prediction. Journal of chemical information and modeling 64 (6) (2024)
Derek P Metcalf, Zachary L Glick, Andrea Bortolato, Andy Jiang, Daniel L Cheney, C David Sherrill
Directional Δ G Neural Network (DrΔ G -Net): A Modular Neural Network Approach to Binding Free Energy Prediction. Journal of chemical information and modeling 64 (6) (2024)
Rameshwar L Kumawat, C David Sherrill
High-Order Quantum-Mechanical Analysis of Hydrogen Bonding in Hachimoji and Natural DNA Base Pairs. Journal of chemical information and modeling (2023)
Rameshwar L Kumawat, C David Sherrill
High-Order Quantum-Mechanical Analysis of Hydrogen Bonding in Hachimoji and Natural DNA Base Pairs. Journal of chemical information and modeling (2023)
Rameshwar L Kumawat, C David Sherrill
High-Order Quantum-Mechanical Analysis of Hydrogen Bonding in Hachimoji and Natural DNA Base Pairs. Journal of chemical information and modeling 63 (10) (2023)
Yi Xie, Zachary L Glick, C David Sherrill
Assessment of three-body dispersion models against coupled-cluster benchmarks for crystalline benzene, carbon dioxide, and triazine. The Journal of chemical physics 158 (9) (2023)
Michele Ceriotti, Lasse Jensen, David E Manolopoulos, Todd J Martinez, David R Reichman, Francesco Sciortino, C David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Emily Allyn Weiss, Xiaoyang Zhu, Jennifer L Stein, Tianquan Lian
2021 JCP Emerging Investigator Special Collection. The Journal of chemical physics 158 (6) (2023)
Caroline S Glick, Derek P Metcalf, Zachary L Glick, Carlos H Borca, C David Sherrill
Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods. The Journal of chemical physics 158 (5) (2023)
Steven A Spronk, Zachary L Glick, Derek P Metcalf, C David Sherrill, Daniel L Cheney
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions. Scientific data 10 (1) (2023)
Rameshwar L Kumawat, C David Sherrill
High-Order Quantum-Mechanical Analysis of Hydrogen Bonding in Hachimoji and Natural DNA Base Pairs. Journal of chemical information and modeling 63 (10) (2023)
Carlos H Borca, Zachary L Glick, Derek P Metcalf, Lori A Burns, C David Sherrill
Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion. The Journal of chemical physics 158 (23) (2023)
Caroline S Glick, Raina Kasera, Zachary L Glick, C David Sherrill, Daniel L Cheney
A quantitative assessment of deformation energy in intermolecular interactions: How important is it? The Journal of chemical physics 158 (24) (2023)
Dominic A Sirianni, Xiao Zhu, Doree F Sitkoff, Daniel L Cheney, C David Sherrill
The influence of a solvent environment on direct non-covalent interactions between two molecules: A symmetry-adapted perturbation theory study of polarization tuning of π-π interactions by water. The Journal of chemical physics 156 (19) (2022)
Derek P Metcalf, Andrew Smith, Zachary L Glick, C David Sherrill
Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals. The Journal of chemical physics 157 (8) (2022)
Jeffrey B Schriber, Daniel R Nascimento, Alexios Koutsoukas, Steven A Spronk, Daniel L Cheney, C David Sherrill
CLIFF: A component-based, machine-learned, intermolecular force field. The Journal of chemical physics 154 (18) (2021)
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, Jiyoung Lee, Asem Alenaizan, Taylor A Barnes, Carlos H Borca, Roberto Di Remigio, David L 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 R Wagner, Logan Ward, Matthew Welborn, Doaa Altarawy, Jamshed Anwar, John D Chodera, Andreas Dreuw, Heather J Kulik, Fang Liu, Todd J Martinez, Devin A Matthews, Henry F Schaefer, Jiřı 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
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of chemical physics 155 (20) (2021)
Asem Alenaizan, Carlos H Borca, Suneesh C Karunakaran, Amy K Kendall, Gerald Stubbs, Gary B Schuster, C David Sherrill, Nicholas V Hud
X-ray Fiber Diffraction and Computational Analyses of Stacked Hexads in Supramolecular Polymers: Insight into Self-Assembly in Water by Prospective Prebiotic Nucleobases. Journal of the American Chemical Society 143 (16) (2021)
Zachary L Glick, Alexios Koutsoukas, Daniel L Cheney, C David Sherrill
Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles. The Journal of chemical physics 154 (22) (2021)
Christophe Lachance-Brais, Christopher D Hennecker, Asem Alenaizan, Xin Luo, Violeta Toader, Monica Taing, C David Sherrill, Anthony K Mittermaier, Hanadi F Sleiman
Tuning DNA Supramolecular Polymers by the Addition of Small, Functionalized Nucleobase Mimics. Journal of the American Chemical Society 143 (47) (2021)
C David Sherrill, David E Manolopoulos, Todd J Martinez, Michele Ceriotti, Angelos Michaelides
Chemical physics software. The Journal of chemical physics 155 (1) (2021)
Jeffrey B Schriber, Dominic A Sirianni, Daniel G A Smith, Lori A Burns, Doree Sitkoff, Daniel L Cheney, C David Sherrill
Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory. The Journal of chemical physics 154 (23) (2021)
Mark D Ediger, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, David R Reichman, C David Sherrill, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Erinn C Brigham, Tianquan Lian
JCP Emerging Investigator Special Collection 2019. The Journal of chemical physics 153 (11) (2021)
Asem Alenaizan, Kévin Fauché, Ramanarayanan Krishnamurthy, C David Sherrill
Noncovalent Helicene Structure between Nucleic Acids and Cyanuric Acid. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (12) (2021)
Derek P Metcalf, Alexios Koutsoukas, Steven A Spronk, Brian L Claus, Deborah A Loughney, Stephen R Johnson, Daniel L Cheney, C David Sherrill
Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory. The Journal of chemical physics 152 (7) (2020)
Zachary L Glick, Derek P Metcalf, Alexios Koutsoukas, Steven A Spronk, Daniel L Cheney, C David Sherrill
AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials. The Journal of chemical physics 153 (4) (2020)
Daniel G A Smith, Lori A Burns, Andrew C Simmonett, Robert M Parrish, Matthew C 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 Senan 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 Iii, Uğur Bozkaya, Rollin A King, Francesco A Evangelista, Justin M Turney, T Daniel Crawford, C David Sherrill
Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of chemical physics 152 (18) (2020)
Derek P Metcalf, Andy Jiang, Steven A Spronk, Daniel L Cheney, C David Sherrill
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge. Journal of chemical information and modeling 61 (1) (2020)
C David Sherrill, David E Manolopoulos, Todd J Martinez, Angelos Michaelides
Electronic structure software. The Journal of chemical physics 153 (7) (2020)
Hua Huang, C David Sherrill, Edmond Chow
Techniques for high-performance construction of Fock matrices. The Journal of chemical physics 152 (2) (2020)
Xian-Kai Chen, Brandon W Bakr, Morgan Auffray, Youichi Tsuchiya, C David Sherrill, Chihaya Adachi, Jean-Luc Bredas
Intramolecular Noncovalent Interactions Facilitate Thermally Activated Delayed Fluorescence (TADF). The journal of physical chemistry letters 10 (12) (2019)
Carlos H Borca, Brandon W Bakr, Lori A Burns, C David Sherrill
CrystaLattE: Automated computation of lattice energies of organic crystals exploiting the many-body expansion to achieve dual-level parallelism. The Journal of chemical physics 151 (14) (2019)
Dominic A Sirianni, Asem Alenaizan, Daniel L Cheney, C David Sherrill
Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes. Journal of chemical theory and computation 14 (6) (2018)
Jungwun Hwang, Ping Li, Mark D Smith, Constance E Warden, Dominic A Sirianni, Erik C Vik, Josef M Maier, Christopher J Yehl, C David Sherrill, Ken D Shimizu
Tipping the Balance between S-π and O-π Interactions. Journal of the American Chemical Society 140 (41) (2018)
Ryan M Richard, Brandon W Bakr, C David Sherrill
Understanding the Many-Body Basis Set Superposition Error: Beyond Boys and Bernardi. Journal of chemical theory and computation 14 (5) (2018)
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 BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions. The Journal of chemical physics 147 (16) (2018)
J Condoluci, S Janardan, A T Calvin, R Rugango, G Shu, C David Sherrill, K R Brown
Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD. The Journal of chemical physics 147 (21) (2018)
Daniel G A Smith, Lori A Burns, Dominic A Sirianni, Daniel R Nascimento, Ashutosh Kumar, Andrew M James, Jeffrey B Schriber, Tianyuan Zhang, Boyi Zhang, Adam S Abbott, Eric J Berquist, Marvin H Lechner, Leonardo A Cunha, Alexander G Heide, Jonathan M Waldrop, Tyler Y Takeshita, Asem Alenaizan, Daniel Neuhauser, Rollin A King, Andrew C Simmonett, Justin M Turney, Henry F Schaefer, Francesco A Evangelista, A Eugene DePrince Iii, T Daniel Crawford, Konrad Patkowski, C David Sherrill
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. Journal of chemical theory and computation 14 (7) (2018)
Uğur Bozkaya, C David Sherrill
Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation. The Journal of chemical physics 147 (4) (2018)
Kevin B Moore, Keyarash Sadeghian, C David Sherrill, Christian Ochsenfeld, Henry F Schaefer
C-H···O Hydrogen Bonding. The Prototypical Methane-Formaldehyde System: A Critical Assessment. Journal of chemical theory and computation 13 (11) (2017)
Udita Brahmachari, Jérôme F Gonthier, C David Sherrill, Bridgette A Barry
Chloride Maintains a Protonated Internal Water Network in the Photosynthetic Oxygen Evolving Complex. The journal of physical chemistry. B 121 (45) (2017)
Robert M Parrish, Doree F Sitkoff, Daniel L Cheney, C David Sherrill
The Surprising Importance of Peptide Bond Contacts in Drug-Protein Interactions. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (33) (2017)
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
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability. Journal of chemical theory and computation 13 (7) (2017)
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, Ryan M Richard, Noa Marom, C David Sherrill, Joseph Vincent Ortiz
Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods. Journal of chemical theory and computation 13 (1) (2016)
Dominic A Sirianni, Lori A Burns, C David Sherrill
Comparison of Explicitly Correlated Methods for Computing High-Accuracy Benchmark Energies for Noncovalent Interactions. Journal of chemical theory and computation 13 (1) (2016)

C David Sherrill.css-eqlu8i{font-size:small;padding-left:4px;} (C D Sherrill)

Publication Activity (10 Years)

Top Topics

Top Venues

C David Sherrill (C D Sherrill)