World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
87
Citations
37157
World Ranking
2364
National Ranking
841

Research.com Recognitions

  • 2014 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

C. David Sherrill is affiliated with the Georgia Institute of Technology in the United States and has developed a significant body of research in the intersecting fields of Physics and Astronomy as well as Chemistry. Their work spans both advanced theoretical frameworks and computational applications in these domains.

The research focus of Sherrill includes several specialized subfields, such as:

  • Atomic and Molecular Physics, and Optics
  • Materials Chemistry
  • Molecular Biology
  • Physical and Theoretical Chemistry
  • Computational Theory and Mathematics

Sherrill's main research topics cover areas like:

  • Advanced Chemical Physics Studies
  • Machine Learning in Materials Science
  • Crystallography and molecular interactions
  • Protein Structure and Dynamics
  • Computational Drug Discovery Methods
  • Spectroscopy and Quantum Chemical Studies
  • DNA and Nucleic Acid Chemistry

The scientist has published extensively in a range of journals, with a strong presence in:

  • The Journal of Chemical Physics (31 publications)
  • Journal of Chemical Information and Modeling (4 publications)
  • Journal of the American Chemical Society (2 publications)
  • Materials Horizons (1 publication)
  • Chemistry - A European Journal (1 publication)

Notable recent publications include:

  • "P SI4 1.4: Open-source software for high-throughput quantum chemistry," 2020, The Journal of Chemical Physics
  • "AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials," 2020, The Journal of Chemical Physics
  • "Electronic structure software," 2020, The Journal of Chemical Physics
  • "A nonconjugated radical polymer with stable red luminescence in the solid state," 2022, Materials Horizons
  • "Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs," 2021, The Journal of Chemical Physics

Frequent collaborators in this researcher's work include Zachary L. Glick, Daniel L. Cheney, Derek P. Metcalf, Asem Alenaizan, and Lori A. Burns, reflecting a collaborative approach across related scientific disciplines.

Their contributions have been recognized by the election as a Fellow of the American Association for the Advancement of Science (AAAS) in 2014.

Best Publications

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • Advances in methods and algorithms in a modern quantum chemistry program package

    Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann

  • Estimates of the Ab Initio Limit for π−π Interactions: The Benzene Dimer

    Mutasem Omar Sinnokrot;and Edward F. Valeev;C. David Sherrill

  • Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

    Robert M. Parrish;Lori A. Burns;Daniel G. A. Smith;Andrew C. Simmonett

  • Psi4: an open-source ab initio electronic structure program

    Justin M. Turney;Andrew C. Simmonett;Robert M. Parrish;Edward G. Hohenstein

  • Assessment of the Performance of the M05-2X and M06-2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules.

    Edward G. Hohenstein;Samuel T. Chill;C. David Sherrill

  • Psi4 1.4: Open-source software for high-throughput quantum chemistry

    Daniel G. A. Smith;Lori A. Burns;Andrew C. Simmonett;Robert M. Parrish

  • Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies

    Trent M. Parker;Lori A. Burns;Robert M. Parrish;Alden G. Ryno

  • High-Accuracy Quantum Mechanical Studies of π−π Interactions in Benzene Dimers

    Mutasem Omar Sinnokrot† and;C. David Sherrill

  • Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer: Sandwich, T-Shaped, and Parallel-Displaced Configurations

    Mutasem Omar Sinnokrot;C. David Sherrill

  • Substituent Effects in π−π Interactions: Sandwich and T-Shaped Configurations

    Mutasem Omar Sinnokrot;C David Sherrill

  • Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals

    Lori A. Burns;Álvaro Vázquez Mayagoitia;Bobby G. Sumpter;C. David Sherrill

  • The Configuration Interaction Method: Advances in Highly Correlated Approaches

    C. David Sherrill;Henry F. Schaefer

  • An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit Coupled-Cluster Potential Energy Curves for the Benzene Dimer, the Methane Dimer, Benzene−Methane, and Benzene−H2S†

    C. David Sherrill;Tait Takatani;Edward G. Hohenstein

  • Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory

    Daniel G. A. Smith;Lori A. Burns;Konrad Patkowski;C. David Sherrill

  • Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions

    Kanchana S. Thanthiriwatte;Edward G. Hohenstein;Lori A. Burns;C. David Sherrill

  • Wavefunction methods for noncovalent interactions

    Edward G. Hohenstein;C. David Sherrill

  • Energy component analysis of π interactions

    C. David Sherrill

  • Basis set convergence of the coupled-cluster correction, δMP2CCSD(T): Best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases

    Michael S. Marshall;Lori A. Burns;C. David Sherrill

  • 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

    Edward G. Hohenstein;C. David Sherrill

Frequent Co-Authors

Henry F. Schaefer
Henry F. Schaefer University of Georgia
T. Daniel Crawford
T. Daniel Crawford Virginia Tech
Martin Head-Gordon
Martin Head-Gordon University of California, Berkeley
Anna I. Krylov
Anna I. Krylov University of Southern California
Todd J. Martínez
Todd J. Martínez Stanford University
Jean-Luc Brédas
Jean-Luc Brédas University of Arizona
Wesley D. Allen
Wesley D. Allen University of Georgia
Yukio Yamaguchi
Yukio Yamaguchi University of Georgia
Marcus Weck
Marcus Weck New York University
Bobby G. Sumpter
Bobby G. Sumpter Oak Ridge National Laboratory

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Related Online Degrees & Career Pathways

Pursuing a Chemistry degree in the USA can open doors to diverse career opportunities, especially when combined with interdisciplinary skills. For those interested in applying chemical knowledge to legal and investigative fields, exploring forensic science careers can be promising. Forensic scientists use chemistry principles to analyze evidence and aid criminal investigations.

Many students consider flexible options, such as an criminal justice associate degree online, which provides a foundation in legal systems alongside scientific understanding. These programs often feature affordable tuition, as outlined in discussions about criminal justice degree online cost, making them accessible for working professionals.

Additionally, obtaining a paralegal certificate can enhance one’s qualifications for careers that blend science with law, such as intellectual property or environmental law. Understanding the different pathways and related costs is essential for making informed decisions about your educational and professional future.

Best Scientists Citing C. David Sherrill

Trending Scientists