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Chemistry

D-Index
61
Citations
16320
World Ranking
9136
National Ranking
2578

Research.com Recognitions

  • 2010 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 2009 - Fellow of American Physical Society (APS) Citation For the development and application of quantum mechanical and classical simulation methods for describing the dynamical processes of condensedphase systems

Overview

Gregory K. Schenter is affiliated with the Pacific Northwest National Laboratory in the United States and has contributed extensively to the fields of materials science and chemistry. Their research spans across materials chemistry, atomic and molecular physics, optics, physical and theoretical chemistry, biomaterials, and biomedical engineering.

The scientist's work has a strong focus on several main topics, including:

  • Spectroscopy and quantum chemical studies
  • Electrostatics and colloid interactions
  • Crystallization and solubility studies
  • Material dynamics and properties
  • Clay minerals and soil interactions
  • Iron oxide chemistry and applications
  • Calcium carbonate crystallization and inhibition

Recent publications by Gregory K. Schenter cover a range of research areas and include:

  • CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations, 2020, The Journal of Chemical Physics
  • Connecting energetics to dynamics in particle growth by oriented attachment using real-time observations, 2020, Nature Communications
  • Moving beyond the Solvent-Tip Approximation to Determine Site-Specific Variations of Interfacial Water Structure through 3D Force Microscopy, 2020, The Journal of Physical Chemistry C
  • Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes, 2021, Accounts of Chemical Research
  • Visualization of Aluminum Ions at the Mica Water Interface Links Hydrolysis State-to-Surface Potential and Particle Adhesion, 2020, Journal of the American Chemical Society

The venues in which this scientist frequently publishes include:

  • OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
  • The Journal of Chemical Physics
  • The Journal of Physical Chemistry C
  • ACS Nano
  • Journal of Colloid and Interface Science

Collaboration is a notable aspect of their research. Frequent co-authors include:

  • Jaehun Chun
  • Christopher J. Mundy
  • Carolyn I. Pearce
  • Kevin M. Rosso
  • Trent R. Graham

Gregory K. Schenter has been recognized by professional societies with fellowships, including:

  • Fellow of the American Association for the Advancement of Science (AAAS) in 2010
  • Fellow of American Physical Society (APS) in 2009, with a citation for the development and application of quantum mechanical and classical simulation methods for describing the dynamical processes of condensed-phase systems

Best Publications

  • CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

    Thomas D. Kühne;Marcella Iannuzzi;Mauro Del Ben;Vladimir V. Rybkin

  • Reversible work transition state theory: application to dissociative adsorption of hydrogen

    Gregory Mills;Hannes Jónsson;Gregory K. Schenter

  • Role of water in electron-initiated processes and radical chemistry: issues and scientific advances.

    Bruce C Garrett;David A Dixon;Donald M Camaioni;Daniel M Chipman

  • Reactor antineutrino spectra and their application to antineutrino-induced reactions. II

    P. Vogel;G. K. Schenter;F. M. Mann;R. E. Schenter

  • Excited States of the Bacteriochlorophyll b Dimer of Rhodopseudomonas viridis: A QM/MM Study of the Photosynthetic Reaction Center That Includes MM Polarization

    Mark A. Thompson;Gregory K. Schenter

  • Quantitatively Probing the Al Distribution in Zeolites

    Aleksei Vjunov;John L. Fulton;Thomas Huthwelker;Sonia Pin

  • Understanding the surface potential of water.

    Shawn M. Kathmann;I-Feng William Kuo;Christopher J. Mundy;Gregory K. Schenter

  • Molecular simulations of the transport of molecules across the liquid/vapor interface of water

    Bruce C. Garrett;Gregory K. Schenter;Akihiro Morita

  • Dynamical Nucleation Theory: A New Molecular Approach to Vapor-Liquid Nucleation

    Gregory K. Schenter;Shawn M. Kathmann;Bruce C. Garrett

  • Statistical Analyses and Theoretical Models of Single-Molecule Enzymatic Dynamics

    Gregory K. Schenter;H. Peter Lu;X. Sunney Xie

  • Natural Energy Decomposition Analysis: The Linear Response Electrical Self Energy

    Gregory K. Schenter;Eric D. Glendening

  • Supersaturated calcium carbonate solutions are classical.

    Katja Henzler;Evgenii O. Fetisov;Mirza Galib;Marcel D. Baer

  • Revisiting the hydration structure of aqueous Na.

    M. Galib;M. D. Baer;L. B. Skinner;C. J. Mundy

  • Structure and dynamics of the water/MgO interface

    Maureen I. McCarthy;Gregory K. Schenter;Carol A. Scamehorn;John B. Nicholas

  • Molecular simulation analysis and X-ray absorption measurement of Ca2+, K+ and Cl- ions in solution.

    Liem X Dang;Gregory K Schenter;Vassiliki-Alexandra Glezakou;John L Fulton

  • Generalized transition state theory in terms of the potential of mean force

    Gregory K. Schenter;Bruce C. Garrett;Donald G. Truhlar

  • Generalized path integral based quantum transition state theory

    G. Mills;G. K. Schenter;Dmitrii E Makarov;Dmitrii E Makarov;H. Jónsson

  • Spectroscopic studies of the phase transition in ammonia borane: Raman spectroscopy of single crystal NH3BH3 as a function of temperature from 88 to 330 K.

    Nancy J. Hess;Mark E. Bowden;Vencislav M. Parvanov;Christopher J. Mundy

  • Structure and dynamics of the hydration shells of the Zn2+ ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations

    Emilie Cauet;Stuart A. Bogatko;John H. Weare;John L. Fulton

  • A quantitative account of quantum effects in liquid water.

    Georgios S. Fanourgakis;Gregory K. Schenter;Sotiris S. Xantheas

Frequent Co-Authors

Christopher J. Mundy
Christopher J. Mundy Pacific Northwest National Laboratory
Bruce C. Garrett
Bruce C. Garrett United States Department of Energy
John L. Fulton
John L. Fulton Pacific Northwest National Laboratory
Tom Autrey
Tom Autrey Pacific Northwest National Laboratory
James J. De Yoreo
James J. De Yoreo Pacific Northwest National Laboratory
Kevin M. Rosso
Kevin M. Rosso Pacific Northwest National Laboratory
Carolyn I. Pearce
Carolyn I. Pearce Pacific Northwest National Laboratory
Maciej Gutowski
Maciej Gutowski Heriot-Watt University
Donald M. Camaioni
Donald M. Camaioni Pacific Northwest National Laboratory
Mark E. Bowden
Mark E. Bowden Pacific Northwest National Laboratory

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