M. Head‐Gordon

Atomic and Molecular Physics, and Optics · 2000–2022

A researcher in the Science corpus: 25 papers; trusts 22 researchers and is trusted by 54 researchers here, as inferred from the citation graph.

Subfields

• Atomic and Molecular Physics, and Optics — 351 citations into it; #317 of 7,135 by trust here, #195 by citations
• Physical and Theoretical Chemistry — 137 citations into it; #48 of 671 by trust here, #21 by citations
• Materials Chemistry — 108 citations into it; #8,780 of 11,513 by trust here, #6,365 by citations
• Electrical and Electronic Engineering — 75 citations into it; #7,126 of 16,539 by trust here, #3,951 by citations
• Organic Chemistry — 57 citations into it; #319 of 1,495 by trust here, #542 by citations
• Spectroscopy — 57 citations into it
• Catalysis — 45 citations into it; #76 of 460 by trust here, #146 by citations
• Molecular Biology — 42 citations into it; #13,999 of 17,773 by trust here, #9,476 by citations

Whom M. Head‐Gordon trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Yan Zhao
2. Axel D. Becke
3. Stefan Grimme
4. Donald G. Truhlar
5. A. Daniel Boese
6. Oleg A. Vydrov
7. Jan Rezác
8. Jeng-Da Chai
9. J. Perdew
10. Andreas Dreuw

Who trusts M. Head‐Gordon overall

1. Roberto Peverati
2. Justin S. Smith
3. Narbe Mardirossian
4. Donald G. Truhlar
5. Stefan Grimme
6. Sebastian Wouters
7. Jeng-Da Chai
8. Leeor Kronik
9. Stephan Kümmel
10. Clemens Isert

Papers from M. Head‐Gordon's perspective

Ordered by how strongly the researchers M. Head‐Gordon trusts endorse each paper. Same corpus, a different order for every researcher.

1. and s
2. Bio-inspired synthesis of xishacorenes A, B, and C, and a new congener from fuscol
3. Annual review of condensed matter physics
4. IL-13受体α2降低血吸虫病肉芽肿的炎症反应并延长宿主存活时间[英]/Mentink-Kane MM,Cheever AW，Thompson RW，et al//Proc Natl Acad Sci U S A
5. Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions. (Journal of Chemical Theory and Computation)
6. Benchmark database of barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions and its use to test theoretical methods. (Journal of Physical Chemistry A)
7. Semiempirical hybrid density functional with perturbative second-order correlation. (Journal of Chemical Physics)
8. Jacob’s ladder of density functional approximations for the exchange-correlation energy
9. Nonlocal van der Waals density functional: the simpler the better. (Journal of Chemical Physics)
10. “Model”

Their papers

• Simulated Quantum Computation of Molecular Energies (2005) — 1,477 citations
• Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes. (2004) — 1,473 citations
• ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation. (2016) — 1,021 citations
• Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange (2003) — 1,309 citations
• Charge-Transfer State as a Possible Signature of a Zeaxanthin-Chlorophyll Dimer in the Non-photochemical Quenching Process in Green Plants (2003) — 115 citations
• Single-reference ab initio methods for the calculation of excited states of large molecules. (2005) — 2,382 citations
• The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm–Dancoff approximation (2022) — 317 citations
• Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package (2021) — 1,051 citations
• Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models (2018) — 206 citations
• Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals (2017) — 1,898 citations
• Quantum Mechanical Screening of Single-Atom Bimetallic Alloys for the Selective Reduction of CO2 to C1 Hydrocarbons (2016) — 205 citations
• A deterministic alternative to the full configuration interaction quantum Monte Carlo method. (2016) — 311 citations
• Improved force-field parameters for QM/MM simulations of the energies of adsorption for molecules in zeolites and a free rotor correction to the rigid rotor harmonic oscillator model for adsorption enthalpies (2015) — 148 citations
• Advances in molecular quantum chemistry contained in the Q-Chem 4 program package (2014) — 2,677 citations
• ωB97X-V: a 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy. (2014) — 790 citations
• A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation (2010) — 1,103 citations
• Current Status of the AMOEBA Polarizable Force Field (2010) — 1,280 citations
• Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections. (2008) — 3,800 citations
• Systematic optimization of long-range corrected hybrid density functionals. (2008) — 3,455 citations
• Advances in methods and algorithms in a modern quantum chemistry program package. (2006) — 2,168 citations