World's Best Scientists 2026 revealed!
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Chemistry
Israel
2026

D-Index & Metrics

Chemistry

D-Index
103
Citations
39945
World Ranking
1110
National Ranking
9

Research.com Recognitions

  • 2026 - Research.com Chemistry in Israel Leader Award
  • 2025 - Research.com Chemistry in Israel Leader Award
  • 2023 - Research.com Chemistry in Israel Leader Award
  • 2022 - Research.com Chemistry in Israel Leader Award

Overview

Jan M. L. Martin is affiliated with the Weizmann Institute of Science in Israel. Their research spans multiple fields primarily within Physics and Astronomy as well as Chemistry, with substantial contributions in subfields such as Atomic and Molecular Physics, and Optics, Materials Chemistry, Organic Chemistry, Spectroscopy, and Physical and Theoretical Chemistry.

Their scholarly output includes a number of recent papers across respected journals. Notable publications include: "The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees" (2020, ChemPhysChem), "What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test Suite" (2021, Journal of Chemical Theory and Computation), "The MOBH35 Metal-Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation Regimes" (2022, Journal of Chemical Theory and Computation), "Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case" (2021, The Journal of Physical Chemistry A), and "Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel-Möbius Interconversions in Expanded Porphyrins" (2020, Journal of Chemical Theory and Computation).

Frequent coauthors collaborating with Jan M. L. Martin include:

  • Emmanouil Semidalas
  • Golokesh Santra
  • Nisha Mehta
  • Vladimir Fishman
  • Nitai Sylvetsky

The researcher's work has been commonly published in venues such as:

  • arXiv (Cornell University)
  • The Journal of Physical Chemistry A
  • Journal of Chemical Theory and Computation
  • The Journal of Physical Chemistry Letters
  • AIP conference proceedings

Jan M. L. Martin's investigations cover a variety of major research topics, with particular emphasis on:

  • Advanced Chemical Physics Studies
  • Machine Learning in Materials Science
  • Chemical Thermodynamics and Molecular Structure
  • Spectroscopy and Quantum Chemical Studies
  • Crystallography and molecular interactions
  • Catalysis and Oxidation Reactions
  • Advanced NMR Techniques and Applications

Best Publications

  • Development of density functionals for thermochemical kinetics

    A. Daniel Boese;Jan M. L. Martin

  • Development of Novel Density Functionals for Thermochemical Kinetics

    A. Daniel Boese;Jan M. L. Martin

  • Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe

    Jan M. L. Martin;Andreas Sundermann

  • TOWARDS STANDARD METHODS FOR BENCHMARK QUALITY AB INITIO THERMOCHEMISTRY :W1 AND W2 THEORY

    Jan M. L. Martin;Glênisson de Oliveira

  • Highly accurate first-principles benchmark data sets for the parametrization and validation of density functional and other approximate methods. Derivation of a robust, generally applicable, double-hybrid functional for thermochemistry and thermochemical kinetics.

    Amir Karton;Alex Tarnopolsky;Jean François Lamère;George C. Schatz

  • Ab initio total atomization energies of small molecules — towards the basis set limit

    Jan M.L. Martin

  • W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

    Amir Karton;Elena Rabinovich;Jan M. L. Martin;Branko Ruscic

  • Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory

    Dimitrios G. Liakos;Manuel Sparta;Manoj K. Kesharwani;Jan M. L. Martin

  • “Turning Over” Definitions in Catalytic Cycles

    Sebastian Kozuch;Jan M. L. Martin;Jan M. L. Martin

  • Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided?

    Manoj K. Kesharwani;Brina Brauer;Jan M. L. Martin

  • Halogen Bonds: Benchmarks and Theoretical Analysis

    Sebastian Kozuch;Jan M. L. Martin

  • DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections

    Sebastian Kozuch;Jan M. L. Martin;Jan M. L. Martin

  • Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities

    Srinivasan Parthiban;Jan M. L. Martin

  • W3 theory: robust computational thermochemistry in the kJ/mol accuracy range.

    A. Daniel Boese;Mikhal Oren;Onur Atasoylu;Jan M. L. Martin

  • W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data

    Amir Karton;Shauli Daon;Jan M.L. Martin

  • The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations

    Jan M. L. Martin;Timothy J. Lee;Peter R. Taylor;Jean‐Pierre François

  • Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4.

    Golokesh Santra;Nitai Sylvetsky;Jan M L Martin

  • Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theory.

    Sebastian Kozuch;Jan M. L. Martin

  • DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction

    Sebastian Kozuch;David Gruzman;Jan M. L. Martin

  • Comment on: “Estimating the Hartree–Fock limit from finite basis set calculations” [Jensen F (2005) Theor Chem Acc 113:267]

    Amir Karton;Jan M. L. Martin

  • IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

    Branko Ruscic;James E. Boggs;Alexander Burcat;Attila G. Császár

Frequent Co-Authors

Amir Karton
Amir Karton University of New England
Renaat Gijbels
Renaat Gijbels University of Antwerp
Peter R. Taylor
Peter R. Taylor Tianjin University
David Milstein
David Milstein Weizmann Institute of Science
Timothy J. Lee
Timothy J. Lee Ames Research Center
Linda J. W. Shimon
Linda J. W. Shimon Weizmann Institute of Science
Milko E. van der Boom
Milko E. van der Boom Weizmann Institute of Science
Yehoshoa Ben-David
Yehoshoa Ben-David Weizmann Institute of Science
Gregory Leitus
Gregory Leitus Weizmann Institute of Science
Frank De Proft
Frank De Proft Vrije Universiteit Brussel

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