D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 124 Citations 101,237 636 World Ranking 218 National Ranking 115

Research.com Recognitions

Awards & Achievements

2019 - Fellow of the Royal Society, United Kingdom

2015 - Member of the National Academy of Sciences

2012 - Fellow of the American Chemical Society

2011 - Fellow of the American Academy of Arts and Sciences

1995 - Fellow of Alfred P. Sloan Foundation

1995 - Hellman Fellow

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Organic chemistry
  • Molecule

His primary scientific interests are in Density functional theory, Computational chemistry, Quantum mechanics, Excited state and Atomic physics. Much of his study explores Density functional theory relationship to Statistical physics. His Computational chemistry study combines topics in areas such as Chemical physics, Electronic correlation, Molecule and Applied mathematics.

His studies examine the connections between Quantum mechanics and genetics, as well as such issues in Basis, with regards to Computational science and Floating point. His work carried out in the field of Excited state brings together such families of science as Excitation, Wave function, Tetracene and Ground state. His work in Atomic physics addresses subjects such as Electron, which are connected to disciplines such as Particle density and Dissociation.

His most cited work include:

  • A fifth-order perturbation comparison of electron correlation theories (5794 citations)
  • Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections (5769 citations)
  • Quadratic configuration interaction. A general technique for determining electron correlation energies (3389 citations)

What are the main themes of his work throughout his whole career to date?

His scientific interests lie mostly in Density functional theory, Quantum mechanics, Computational chemistry, Atomic physics and Atomic orbital. The various areas that Martin Head-Gordon examines in his Density functional theory study include Chemical physics, Statistical physics and Intermolecular force. His Quantum mechanics study focuses mostly on Coupled cluster, Wave function, Electronic structure, Valence and Electronic correlation.

His biological study spans a wide range of topics, including Limit and Applied mathematics. His Atomic physics study integrates concerns from other disciplines, such as Electron and Molecule. The study incorporates disciplines such as Molecular physics, Excitation and Ground state in addition to Excited state.

He most often published in these fields:

  • Density functional theory (38.01%)
  • Quantum mechanics (26.64%)
  • Computational chemistry (23.83%)

What were the highlights of his more recent work (between 2018-2021)?

  • Density functional theory (38.01%)
  • Chemical physics (17.60%)
  • Atomic orbital (20.25%)

In recent papers he was focusing on the following fields of study:

Martin Head-Gordon mainly investigates Density functional theory, Chemical physics, Atomic orbital, Statistical physics and Excited state. His Density functional theory research is multidisciplinary, relying on both Delocalized electron, Polarizability, Electronic structure, Coupled cluster and Molecular orbital. His Electronic structure study frequently involves adjacent topics like Molecular physics.

Martin Head-Gordon has researched Chemical physics in several fields, including Quantum chemistry, Molecule, Hydrogen bond, Intramolecular force and Localized molecular orbitals. His Atomic orbital research is classified as research in Quantum mechanics. His studies deal with areas such as Data point, Energy, Potential energy and Equilibrium geometry as well as Statistical physics.

Between 2018 and 2021, his most popular works were:

  • Generalized Unitary Coupled Cluster Wave functions for Quantum Computation. (93 citations)
  • Generalized Unitary Coupled Cluster Wave functions for Quantum Computation. (93 citations)
  • Identification of the strong Brønsted acid site in a metal–organic framework solid acid catalyst (60 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Organic chemistry
  • Molecule

His primary scientific interests are in Atomic orbital, Density functional theory, Ground state, Quantum mechanics and Coupled cluster. His Atomic orbital study combines topics from a wide range of disciplines, such as Møller–Plesset perturbation theory, Computational physics, Scaling and Maxima and minima. His Scaling study also includes fields such as

  • Thermochemistry which intersects with area such as Statistical physics,
  • Intermolecular force, which have a strong connection to Piecewise, Electrostatics, Separable space and Water cluster.

The Density functional theory study combines topics in areas such as Chemical physics, Solvation, Polarizability, Electrolyte and Continuum. His is involved in several facets of Quantum mechanics study, as is seen by his studies on Excited state, Symmetry breaking and Electronic structure. His Coupled cluster research integrates issues from Energy level, Regularization and Ansatz.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

Jeng-Da Chai;Martin Head-Gordon.
Physical Chemistry Chemical Physics (2008)

9555 Citations

A fifth-order perturbation comparison of electron correlation theories

Krishnan Raghavachari;Gary W. Trucks;John A. Pople;Martin Head-Gordon.
Chemical Physics Letters (1989)

8229 Citations

Quadratic configuration interaction. A general technique for determining electron correlation energies

John A. Pople;Martin Head‐Gordon;Krishnan Raghavachari.
Journal of Chemical Physics (1987)

5062 Citations

MP2 energy evaluation by direct methods

Martin Head-Gordon;John A. Pople;Michael J. Frisch.
Chemical Physics Letters (1988)

3094 Citations

Systematic optimization of long-range corrected hybrid density functionals.

Jeng-Da Chai;Martin Head-Gordon.
Journal of Chemical Physics (2008)

2951 Citations

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

Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann.
Physical Chemistry Chemical Physics (2006)

2867 Citations

Toward a systematic molecular orbital theory for excited states

James B. Foresman;Martin Head-Gordon;John A. Pople;Michael J. Frisch.
The Journal of Physical Chemistry (1992)

2690 Citations

Single-reference ab initio methods for the calculation of excited states of large molecules.

Andreas Dreuw;Martin Head-Gordon.
Chemical Reviews (2005)

2589 Citations

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

Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert.
Molecular Physics (2015)

2551 Citations

A direct MP2 gradient method

Michael J. Frisch;Martin Head-Gordon;John A. Pople.
Chemical Physics Letters (1990)

1941 Citations

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