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D-Index & Metrics

Engineering and Technology

D-Index
46
Citations
9078
World Ranking
5117
National Ranking
1455

Research.com Recognitions

  • 2014 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

David A. Kofke is affiliated with the State University of New York in the United States. Their research spans several areas within physics, chemistry, and engineering, reflecting a multidisciplinary approach to scientific inquiry.

The main fields of study include:

  • Physics and Astronomy
  • Engineering

Within these fields, Kofke's work focuses on a variety of subfields:

  • Atomic and Molecular Physics, and Optics
  • Biomedical Engineering
  • Materials Chemistry
  • Organic Chemistry
  • Geophysics

The primary research topics cover:

  • Phase Equilibria and Thermodynamics
  • Machine Learning in Materials Science
  • Advanced Chemical Physics Studies
  • Spectroscopy and Quantum Chemical Studies
  • Chemical Thermodynamics and Molecular Structure
  • High-pressure geophysics and materials
  • Thermodynamic properties of mixtures

Kofke has contributed extensively to the academic literature, notably in journals such as:

  • Journal of Chemical & Engineering Data
  • The Journal of Chemical Physics
  • The Journal of Physical Chemistry B
  • AIChE Journal
  • Molecular Simulation

Recent significant papers authored or co-authored by Kofke include:

  • "Speed of Sound in Helium-4 from Ab Initio Acoustic Virial Coefficients," 2021, Journal of Chemical & Engineering Data
  • "Virial equation of state as a new frontier for computational chemistry," 2022, The Journal of Chemical Physics
  • "Cluster integrals and virial coefficients for realistic molecular models," 2020, Physical review. E
  • "Erratum: "Comprehensive high-precision high-accuracy equation of state and coexistence properties for classical Lennard-Jones crystals and low-temperature fluid phases" [J. Chem. Phys. 149, 204508 (2018)]," 2020, The Journal of Chemical Physics
  • "Properties of supercritical N2, O2, CO2, and NH3 mixtures from the virial equation of state," 2020, AIChE Journal

Kofke frequently collaborates with other researchers, with notable co-authors including:

  • Andrew J. Schultz
  • J. Ilja Siepmann
  • Ramesh L. Gardas
  • Ronny Pini
  • Gabriele Sadowski

Recognition of Kofke's scientific contributions includes election as a Fellow of the American Association for the Advancement of Science (AAAS) in 2014.

Best Publications

  • Direct evaluation of phase coexistence by molecular simulation via integration along the saturation line

    David A. Kofke

  • Thermodynamic and structural properties of model systems at solid-fluid coexistence: I. Fcc and bcc soft spheres

    Rupal Agrawal;David A. Kofke

  • Gibbs-Duhem integration: a new method for direct evaluation of phase coexistence by molecular simulation

    David A. Kofke

  • THERMODYNAMIC AND STRUCTURAL PROPERTIES OF MODEL SYSTEMS AT SOLID-FLUID COEXISTENCE. II: MELTING AND SUBLIMATION OF THE LENNARD-JONES SYSTEM

    Rupal Agrawal;David A. Kofke

  • Monte Carlo simulation of multicomponent equilibria in a semigrand canonical ensemble

    David A. Kofke;Eduardo D. Glandt

  • On the acceptance probability of replica-exchange Monte Carlo trials

    David A. Kofke

  • Selection of temperature intervals for parallel-tempering simulations.

    Aminata Kone;David A. Kofke

  • Monte Carlo study of freezing of polydisperse hard spheres.

    Peter G. Bolhuis;David A. Kofke

  • Appropriate methods to combine forward and reverse free-energy perturbation averages

    Nandou Lu;Jayant K. Singh;David A. Kofke

  • Freezing of polydisperse hard spheres

    David A. Kofke;Peter G. Bolhuis

  • Mayer Sampling: Calculation of Cluster Integrals using Free-Energy Perturbation Methods

    Jayant K. Singh;David A. Kofke

  • Surface tension and vapor-liquid phase coexistence of the square-well fluid

    J.K. Singh;D.A. Kofke;J.R. Errington

  • Improving the efficiency and reliability of free energy perturbation calculations using overlap sampling methods.

    Nandou Lu;David A. Kofke;Thomas B. Woolf

  • Phase-space overlap measures. I. Fail-safe bias detection in free energies calculated by molecular simulation.

    Di Wu;David A. Kofke

  • Solid-fluid coexistence for inverse-power potentials.

    Unknown

  • The isotropic–nematic phase transition in uniaxial hard ellipsoid fluids: Coexistence data and the approach to the Onsager limit

    Philip J. Camp;Carl P. Mason;Michael P. Allen;Anjali A. Khare

  • Coexistence diagrams of mixtures by molecular simulation

    Manoj Mehta;David A. Kofke

  • Phase-space overlap measures. II. Design and implementation of staging methods for free-energy calculations.

    Di Wu;David A. Kofke

  • Calculation of surface tension via area sampling

    Jeffrey R. Errington;David A. Kofke

  • Solid‐Fluid Equilibrium: Insights from Simple Molecular Models

    P. A. Monson;D. A. Kofke

  • Free energy methods in molecular simulation

    David A. Kofke

  • Conserving energy during molecular dynamics simulations of water, proteins, and proteins in water

    Douglas B. Kitchen;Fumio Hirata;John D. Westbrook;Ronald Levy

  • Calculation of surface tension via area sampling

    Jeffrey R. Errington;David A. Kofke

Frequent Co-Authors

Cemal Basaran
Cemal Basaran University at Buffalo, State University of New York
J. Ilja Siepmann
J. Ilja Siepmann University of Minnesota
Gabriele Sadowski
Gabriele Sadowski TU Dortmund University
Jeffrey R. Errington
Jeffrey R. Errington University at Buffalo, State University of New York
Scott L. Diamond
Scott L. Diamond University of Pennsylvania
Vipin Chaudhary
Vipin Chaudhary University at Buffalo, State University of New York
Joan F. Brennecke
Joan F. Brennecke The University of Texas at Austin
Peter T. Cummings
Peter T. Cummings Heriot-Watt University
Sang Kyu Kwak
Sang Kyu Kwak Korea University
Randall Q. Snurr
Randall Q. Snurr Northwestern University

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