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Michael L. Klein

Michael L. Klein

D-Index & Metrics

Chemistry

D-Index
130
Citations
126736
World Ranking
312
National Ranking
145

Research.com Recognitions

  • 2018 - Member of Academia Europaea
  • 2015 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 2009 - Member of the National Academy of Sciences
  • 2004 - Fellow, The World Academy of Sciences
  • 2003 - Fellow of the American Academy of Arts and Sciences
  • 2003 - Fellow of the Royal Society, United Kingdom
  • 1991 - Fellow of American Physical Society (APS) Citation For the development and application of intermolecular potentials and computersimulation methods, leading to deep insights into the structure, dynamics, and phase transition of liquids and solids
  • 1989 - Fellow of John Simon Guggenheim Memorial Foundation
  • 1984 - Fellow of the Royal Society of Canada Academy of Science

Overview

Michael L. Klein is affiliated with Temple University in the United States. Their research primarily spans the field of Materials Science, with a focus on several subfields including Materials Chemistry, Atomic and Molecular Physics and Optics, Molecular Biology, Polymers and Plastics, and Organic Chemistry.

The main topics covered in their work include:

  • Spectroscopy and Quantum Chemical Studies
  • Machine Learning in Materials Science
  • Lipid Membrane Structure and Behavior
  • Supramolecular Self-Assembly in Materials
  • Advanced Polymer Synthesis and Characterization
  • Computational Drug Discovery Methods
  • Dendrimers and Hyperbranched Polymers

Recent publications by Michael L. Klein and collaborators illustrate varied research interests and include:

  • Dissolving salt is not equivalent to applying a pressure on water, 2022, Nature Communications
  • Modeling Liquid Water by Climbing up Jacob's Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials, 2021, The Journal of Physical Chemistry B
  • Investigations of water/oxide interfaces by molecular dynamics simulations, 2021, Wiley Interdisciplinary Reviews Computational Molecular Science
  • SPICA Force Field for Proteins and Peptides, 2022, Journal of Chemical Theory and Computation
  • Nanovesicles displaying functional linear and branched oligomannose self-assembled from sequence-defined Janus glycodendrimers, 2020, Proceedings of the National Academy of Sciences

Frequent co-authors working with Michael L. Klein include:

  • Mark DelloStritto
  • Virgil Percec
  • Qi Xiao
  • Xifan Wu
  • Vincenzo Carnevale

The scientist has published multiple papers in several notable venues, such as:

  • The Journal of Physical Chemistry B
  • The Journal of Chemical Physics
  • arXiv (Cornell University)
  • Physical Review Letters
  • The Journal of Physical Chemistry Letters

Michael L. Klein has received several honors including membership and fellowship in various prestigious scientific societies. These include:

  • Member of Academia Europaea (2018)
  • Fellow of the American Association for the Advancement of Science (AAAS) (2015)
  • Member of the National Academy of Sciences (2009)
  • Fellow of The World Academy of Sciences (2004)
  • Fellow of the American Academy of Arts and Sciences (2003)
  • Fellow of the Royal Society, United Kingdom (2003)
  • Fellow of American Physical Society (APS) (1991) with citation for the development and application of intermolecular potentials and computer simulation methods
  • Fellow of John Simon Guggenheim Memorial Foundation (1989)
  • Fellow of the Royal Society of Canada (1984)

Best Publications

  • Comparison of simple potential functions for simulating liquid water

    William L. Jorgensen;Jayaraman Chandrasekhar;Jeffry D. Madura;Roger W. Impey

  • Constant pressure molecular dynamics algorithms

    Glenn J. Martyna;Douglas J. Tobias;Michael L. Klein

  • Nosé-Hoover chains : the canonical ensemble via continuous dynamics

    Glenn J. Martyna;Michael L. Klein;Mark Tuckerman

  • Constant pressure molecular dynamics for molecular systems

    Shuichi Nosé;M.L. Klein

  • Explicit reversible integrators for extended systems dynamics

    Glenn J. Martyna;Mark E. Tuckerman;Douglas J. Tobias;Michael L. Klein

  • Using collective variables to drive molecular dynamics simulations

    Giacomo Fiorin;Michael L. Klein;Jérôme Hénin

  • Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

    Jianwei Sun;Richard C. Remsing;Yubo Zhang;Zhaoru Sun

  • On the quantum nature of the shared proton in hydrogen bonds

    Mark E. Tuckerman;Dominik Marx;Michael L. Klein;Michele Parrinello

  • Self-Assembly of Janus Dendrimers into Uniform Dendrimersomes and Other Complex Architectures

    Virgil Percec;Daniela A. Wilson;Pawaret Leowanawat;Christopher J. Wilson

  • A Coarse Grain Model for Phospholipid Simulations

    John C. Shelley;Mee Y. Shelley;Robert C. Reeder;Sanjoy Bandyopadhyay

  • De Novo Design of Antimicrobial Polymers, Foldamers, and Small Molecules: From Discovery to Practical Applications

    Gregory N. Tew;Richard W. Scott;Michael L. Klein;William F. DeGrado

  • FROM MOLECULES TO MATERIALS : CURRENT TRENDS AND FUTURE DIRECTIONS

    A. Paul Alivisatos;Paul F. Barbara;A. Welford Castleman;Jack Chang

  • A polarizable model for water using distributed charge sites

    Michiel Sprik;Michael L. Klein

  • Coarse grain models and the computer simulation of soft materials

    Steve O Nielsen;Carlos F Lopez;Goundla Srinivas;Michael L Klein

  • Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals

    Mark E. Tuckerman;Bruce J. Berne;Glenn J. Martyna;Michael L. Klein

  • De novo design of biomimetic antimicrobial polymers

    Gregory N. Tew;Dahui Liu;Bin Chen;Robert J. Doerksen

  • Molecular model for aqueous ferrous–ferric electron transfer

    Robert A. Kuharski;Joel S. Bader;David Chandler;Michiel Sprik

  • Simulation of a monolayer of alkyl thiol chains

    Joseph Hautman;Michael L. Klein

  • Multi-property fitting and parameterization of a coarse grained model for aqueous surfactants

    W. Shinoda;R. DeVane;M. L. Klein

  • Large-scale molecular dynamics simulations of self-assembling systems.

    Michael L. Klein;Wataru Shinoda

  • Intermolecular potential functions and the properties of water

    J.R. Reimers;R.O. Watts;M.L. Klein

Frequent Co-Authors

William F. DeGrado
William F. DeGrado University of California, San Francisco
Mounir Tarek
Mounir Tarek University of Lorraine
Ian R. McDonald
Ian R. McDonald University of Cambridge
Douglas J. Tobias
Douglas J. Tobias University of California, Irvine
Gregory N. Tew
Gregory N. Tew University of Massachusetts Amherst
J. Ilja Siepmann
J. Ilja Siepmann University of Minnesota
Johanna M. Seddon
Johanna M. Seddon University of Massachusetts Chan Medical School
John S. Tse
John S. Tse University of Saskatchewan
Ivaylo Ivanov
Ivaylo Ivanov Georgia State University
Wataru Shinoda
Wataru Shinoda Nagoya University

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