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C

C. David Sherrill

university system of georgia

85H指数
286论文数
3.4W被引数
收录论文 157
发表时间
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Defect-Engineered Graphene Nanoribbons for Enhanced DNA Sequencing: A Study of Structural Defects and Their Impact on Nucleobase Interaction and Quantum Transport缺陷工程石墨烯纳米带用于增强DNA测序：结构缺陷及其对碱基相互作用和量子输运影响的研究
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-09-01
err0
PREAI
errKumawat, Rameshwar L.; Jha, Sanjiv K.; Tayo, Benjamin O.; Sherrill, C. David
err分享
err收藏
SparcleQC: Automated Input File Creation for QM/MM Studies of Protein:Ligand ComplexesSparcleQC：蛋白质：配体复合物QMMM研究的自动化输入文件创建
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-17
err0
errOAAI
errCaroline S. Glick; Isabel P. Berry; C. David Sherrill
err分享
err收藏
pyVPT2: Interoperable software for anharmonic vibrational frequency calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-17
err0
PREAI
errNelson, Philip M.; Sherrill, C. David
err分享
err收藏
Convergence of the many-body expansion with respect to distance cutoffs in crystals of polar molecules: Acetic acid, formamide, and imidazole
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-12-03
err0
PREAI
errNelson, Philip M.; Sherrill, C. David
err分享
err收藏
QCManyBody: A flexible implementation of the many-body expansion
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-15
err0
PREAI
errBurns, Lori A.; Sherrill, C. David; Pritchard, Benjamin P.
err分享
err收藏
Electrostatically embedded symmetry-adapted perturbation theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-03
err0
PREAI
errGlick, Caroline S.; Alenaizan, Asem; Cheney, Daniel L.; Cavender, Chapin E.; Sherrill, C. David
err分享
err收藏
Optimization of damping function parameters for-D3 and-D4 dispersion models for Hartree-Fock based symmetry-adapted perturbation theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-18
err0
PREAI
errWallace, Austin M.; Sherrill, C. David
err分享
err收藏
Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-22
err1
PREAI
errJiang, Andy; Glick, Zachary L.; Poole, David; Turney, Justin M.; Sherrill, C. David; Schaefer, Henry F.
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A modular, composite framework for the utilization of reduced-scaling Coulomb and exchange construction algorithms: Design and implementation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-02
err1
PREAI
errPoole, David; Williams-Young, David B.; Jiang, Andy; Glick, Zachary L.; Sherrill, C. David
err分享
err收藏
Broadening access to small-molecule parameterization with the force field toolkit
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-25
err0
PREAI
errZeng, Yunlin; Pavlova, Anna; Nelson, Philip M.; Glick, Zachary L.; Yang, Lan; Pang, Yui Tik; Spivak, Mariano; Licari, Giuseppe; Tajkhorshid, Emad; Sherrill, C. David; Gumbart, James C.
err分享
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Directional ΔG Neural Network (DrΔG-Net): A Modular Neural Network Approach to Binding Free Energy Prediction
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-03-12
err2
errOAAI
errMetcalf, Derek P.; Glick, Zachary L.; Bortolato, Andrea; Jiang, Andy; Cheney, Daniel L.; Sherrill, C. David
err分享
err收藏
A physics-aware neural network for protein-ligand interactions with quantum chemical accuracy
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errGlick, Zachary L.; Metcalf, Derek P.; Glick, Caroline S.; Spronk, Steven A.; Koutsoukas, Alexios; Cheney, Daniel L.; Sherrill, C. David
err分享
err收藏
Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-09-01
err3
errOAAI
errNelson, Philip M.; Glick, Zachary L.; Sherrill, C. David
err分享
err收藏
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-23
err4
PREAI
errSargent, Caroline T. T.; Kasera, Raina; Glick, Zachary L. L.; Sherrill, C. David; Cheney, Daniel L. L.
err分享
err收藏
Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-15
err7
PREAI
errBorca, Carlos H.; Glick, Zachary L.; Metcalf, Derek P.; Burns, Lori A.; Sherrill, C. David
err分享
err收藏
High-Order Quantum-Mechanical Analysis of Hydrogen Bonding in Hachimoji and Natural DNA Base Pairs
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-05-01
err10
errOAAI
errKumawat, Rameshwar L.; Sherrill, C. David
err分享
err收藏
Assessment of three-body dispersion models against coupled-cluster benchmarks for crystalline benzene, carbon dioxide, and triazine
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-06
err3
PREAI
errXie, Yi; Glick, Zachary L. L.; Sherrill, C. David
err分享
err收藏
2021 JCP Emerging Investigator Special Collection2021 JCP新兴调查员特别收藏
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-13
err0
errOAAI
errCeriotti, Michele; Jensen, Lasse; Manolopoulos, David E.; Martinez, Todd; Reichman, David R.; Sciortino, Francesco; Sherrill, C. David; Shi, Qiang; Vega, Carlos; Wang, Lai-Sheng; Weiss, Emily A.; Zhu, Xiaoyang; Stein, Jenny; Lian, Tianquan
err分享
err收藏
Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-06
err4
PREAI
errSargent, Caroline T.; Metcalf, Derek P.; Glick, Zachary L.; Borca, Carlos H.; Sherrill, C. David
err分享
err收藏
Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-08-25
err5
PREAI
errMetcalf, Derek P.; Smith, Andrew; Glick, Zachary L.; Sherrill, C. David
err分享
err收藏

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