OpenKIM Directory of
Interatomic Model Developers

The OpenKIM Directory of Interatomic Model Developers lists researchers engaged in the development of interatomic potentials and force fields. This is a free resource provided by OpenKIM to help researchers engaged in molecular simulation to connect with model developers in order to find interatomic models and to form collaborations.

If you are seeking an interatomic model for a particular system, you can contact individual developers based on the information they provide below, or post on the model developers forum. (For more on the forum, see here.)


Click here to add your name to the Directory.

If you are listed in the directory and are an OpenKIM Member, you can edit your entry on your OpenKIM profile page, sign in to access it. If you are not an OpenKIM Member, contact us with your requested changes.


Prof. Graeme J Ackland
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/gjackland
Department
Physics and Astronomy
Institute
University of Edinburgh
Location
Edinburgh, Scotland, United Kingdom
Description
Materials
Bibliography
Website
http://www2.ph.ed.ac.uk/~gja/potentials.html
Email
gjackland@ed.ac.uk
Prof. Dr. Karsten Albe
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/albe
Department
Fachbereich Material- und Geowissenschaften
Institute
Fachgebiet Materialmodellierung
Location
Darmstadt, Hesse, Germany
Description
Materials
Bibliography
Website
http://www.mm.mw.tu-darmstadt.de
Prof. Mike Baskes
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/mbaskes
Department
Aerospace Engineering
Institute
Mississippi State University
Location
Mississippi State, MS, USA
Description
Materials
Bibliography
Website
https://www.cavs.msstate.edu/directory/information.php?d=2513
Email
baskes@bagley.msstate.edu
Dr. Jörg Behler
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/joergbehler
Department
Theoretical Chemistry
Institute
Ruhr-Universität Bochum
Location
Bochum, Germany
Description
Materials
Bibliography
Website
http://www.theochem.rub.de/research/behler/index.en.html
Email
joerg.behler@theochem.ruhr-uni-bochum.de
Dr. Giovanni Bonny
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/gbonny
Department
Nuclear Materials Science Institute
Institute
SCK-CEN
Location
Mol, Belgium
Description
Materials
Bibliography
Website
http://science.sckcen.be/en/Institutes/NMS/SMA
Email
gbonny@sckcen.be
Dr. Peter Brommer
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/pbro
Department
Warwick Centre for Predictive Modelling, School of Engineering
Institute
University of Warwick
Location
Coventry, United Kingdom
Description
Materials
Bibliography
Website
http://warwick.ac.uk/pbrommer
Email
p.brommer@warwick.ac.uk
Prof. Wei Cai
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Mechanical Engineering
Institute
Stanford University
Location
Palo Alto, CA, USA
Description
Materials
Bibliography
Email
caiwei@stanford.edu
Dr. Flaviu Cipcigan
Institute
IBM Research
Location
United Kingdom
Description
Materials
Bibliography
Dr. Andrew I Duff
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Materials
Institute
Imperial College
Location
London, United Kingdom
Description
Materials
Bibliography
Email
andrew.duff@stfc.ac.uk
Prof. Paul Erhart
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/erhart
Department
Physics
Institute
Chalmers University of Technology
Location
Gothenburg, Sweden
Description
Materials
Bibliography
Website
http://www.materialsmodeling.com
Prof. Sakir Erkoc
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/erkoc
Department
Physics
Institute
Middle East Technical University (METU)
Location
Ankara, Turkey
Description
Materials
Bibliography
Website
http://erkoc.physics.metu.edu.tr
Email
erkoc@metu.edu.tr
Prof. Haiodng Fan
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/vanheyto
Department
Mechanics
Institute
Sichuan University
Location
Livermore, China
Email
haidongfan8@foxmail.com
Mr. David Furman
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/FurmanD
Department
Chemistry Division
Institute
NRCN
Location
Beer-Sheva, Israel
Description
Materials
Bibliography
Email
sirok4@gmail.com
Dr. Joshua S Gibson
Location
USA
Description
Materials
Bibliography
Email
joshgibson886@gmail.com
Prof. William A Goddard
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/wag
Department
chemistry, materials science, applied physics
Institute
California Institute of Technology (Caltech)
Description
Materials
Bibliography
Website
http://www.wag.caltech.edu
Email
wag@wag.caltech.edu
Prof. Stefan Goedecker
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Physics
Institute
Uni Basel
Location
Basel, Switzerland
Description
Materials
Bibliography
Website
https://comphys.unibas.ch/publications.php
Email
Stefan.Goedecker@unibas.ch
Dr. Thomas Hammerschmidt
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/ThomasHammerschmidt
Department
ICAMS
Institute
Ruhr-University Bochum
Location
Bochum, Germany
Description
Materials
Bibliography
Website
http://www.icams.de/content/people/icams-staff-members/?detail=55
Dr. Sang Soo Han
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Computational Science Research Center
Institute
Korea Institute of Science and Technology
Location
Seoul, Korea
Description
Materials
Bibliography
Website
https://sites.google.com/site/sangsookist/people
Email
sangsoo@kist.re.kr
Prof. Oded Hod
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Physical Chemistry
Institute
Tel Aviv University
Location
Tel Aviv, Israel
Description
Materials
Bibliography
Website
http://www.tau.ac.il/~odedhod/
Email
odedhod@tau.ac.il
Dr. Sergey Izvekov
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Weapons and Materials Research Directorate
Institute
U. S. Army Research Laboratory
Location
Aberdeen Proving Ground, MD, USA
Description
Materials
Bibliography
Website
http://www.arl.army.mil
Email
sergiy.izvyekov.civ@mail.mil
Dr. Andres Jaramillo-Botero
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/ajaramil
Department
Chemistry and Chemical Engineering
Institute
California Institute of Technology
Location
Pasadena, CA, USA
Description
Materials
Bibliography
Website
http://www.wag.caltech.edu/home/ajaramil/
Email
ajaramil@wag.caltech.edu
Dr. Jin-Wu Jiang
Institute
Shanghai University
Location
China
Description
Materials
Bibliography
Email
jwjiang5918@hotmail.com
Prof. Joao F. Justo
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Escola Politecnica
Institute
University of Sao Paulo
Location
Sao Paulo, SP, Brazil
Description
Materials
Bibliography
Email
jjusto@lme.usp.br
Dr. Andreas Klemenz
Institute
Fraunhofer IWM
Location
Freiburg, Germany
Description
Materials
Bibliography
Email
andreas.klemenz@iwm.fraunhofer.de
Dr. Joel D Kress
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/jdk
Department
Theoretical Division
Institute
Los Alamos National Laboratory
Location
Los Alamos , NM, USA
Description
Bibliography
Email
jdk@lanl.gov
Dr. Alexander I Landa
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/landa
Department
Physical and Life Sciences
Institute
Lawrence Livemore National Laboratory
Location
Livermore, CA, USA
Description
Materials
Bibliography
Website
https://pls.llnl.gov/people/staff-bios/physics/landa-a
Dr. James Larentzos
Institute
U.S. Army Research Laboratory
Location
Aberdeen Proving Ground, MD, USA
Description
Materials
Bibliography
Prof. Byeong-Joo Lee
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/calphad
Department
Materials Science and Engineering
Institute
Pohang University of Science and Technology (POSTECH)
Location
Pohang, Korea
Description
Materials
Bibliography
Website
http://cmse.postech.ac.kr
Email
calphad@postech.ac.kr
Dr. Thomas Lenosky
Institute
contractor for Lawrence Livermore National Laboratory
Location
Santa Cruz, CA, USA
Description
Materials
Bibliography
Email
thomas.lenosky@gmail.com
Dr Nigel Marks
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Physics & Astronomy
Institute
Curtin University
Location
Perth, WA, Australia
Description
Materials
Bibliography
Website
http://oasisapps.curtin.edu.au/staff/profile/view/N.Marks
Email
N.Marks@curtin.edu.au
Dr. Mikhail Mendelev
Institute
Ames Laboratory US DOE
Description
Materials
Bibliography
Email
mendelev@ameslab.gov
Dr. Ronald E Miller
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/ronmiller
Department
Mechanical and Aerospace Engineering
Institute
Carleton University
Location
Ottawa, ON, Canada
Description
Materials
Website
http://carleton.ca/nanomechanics/
Email
rmiller@mae.carleton.ca
Prof. Yuri Mishin
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/ymishin
Department
Department of Physics and Astronomy
Institute
George Mason University
Location
Fairfax, Virginia, USA
Description
Materials
Website
http://physics.gmu.edu/~ymishin/
Email
ymishin@gmu.edu
Dr. Antonis D Mistriotis
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Laboratory of Farm Structures
Institute
Agricultural University of Athens
Location
Athens, Greece
Description
Materials
Bibliography
Email
amistr@aua.gr
Dr. John A. Moriarty
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/jamoriarty
Department
Condensed Matter Physics
Institute
Lawrence Livermore National Laboratory
Location
Livermore, California, USA
Description
Materials
Bibliography
Website
https://www-pls.llnl.gov/emt
Email
moriarty2@llnl.gov
Prof. Martin H. Müser
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Dept. of Materials Science and Engineering
Institute
Saarland University
Location
Saarbrücken, Germany
Description
Bibliography
Website
http://www.lms.uni-saarland.de/
Prof. Kai Nordlund
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Department of Physics
Institute
University of Helsinki
Location
Helsinki, Finland
Description
Materials
Bibliography
Website
http://www.helsinki.fi/~knordlun/
Email
kai.nordlund@helsinki.fi
Dr. Berk Onat
Location
Turkey
Description
Materials
Bibliography
Website
https://openkim.org/profile/onatberk
Email
onatberk@gmail.com
Dr. Mario Orsi
Description
Materials
Bibliography
Dr. Roberto C Pasianot
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Gcia. Materiales CAC
Institute
Comisión Nacional de Energía Atómica
Location
Buenos Aires, Argentina
Description
Materials
Bibliography
Email
pasianot@cnea.gov.ar
Dr. Lars Pastewka
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/pastewka
Department
Institute for Applied Materials (IAM)
Institute
Karlsruhe Institute of Technology (KIT)
Location
Karlsruhe, Germany
Description
Materials
Website
http://www.yin.kit.edu/english/1103_1692.php
Email
lars.pastewka@kit.edu
Prof. Simon R. Phillpot
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Department of Materials Science and Engineering
Institute
University of Florida
Location
Gainesville, Florida, USA
Description
Materials
Bibliography
Website
http://phillpot.mse.ufl.edu
Email
sphil@mse.ufl.edu
Dr. Ganga P Purja Pun
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/gangapun
Department
Physics and Astronomy
Institute
George Mason University
Location
Fairfax, Virginia, USA
Description
Materials
Bibliography
Email
gangapurjapun@gmail.com
Dr. Matthias Rupp
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Theory
Institute
Fritz Haber Institute of the Max Planck Society
Location
Berlin, Germany
Description
Bibliography
Website
http://www.mrupp.info
Prof. Seunghwa Ryu
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Mechanical Engineering
Institute
KAIST (Korea Advanced Institute of Science and Technology)
Location
Daejeon, Korea
Website
https://sites.google.com/site/seunghwalab/
Email
ryush@kaist.ac.kr
Prof. Jakob Schiøtz
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/schiotz
Department
Department of Physics
Institute
Technical University of Denmark
Location
Kongens Lyngby, Denmark
Description
Materials
Website
https://wiki.fysik.dtu.dk/asap
Email
schiotz@fysik.dtu.dk
Dr. Ray Shan
Institute
Materials Design, INC; Sandia National Laboratories, University of Florida
Location
USA
Description
Materials
Email
rshan@materialsdesign.com
Prof. Howard Sheng
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/hsheng
Department
Physics
Institute
George Mason University
Location
Fairfax, VA, USA
Description
Materials
Website
https://sites.google.com/site/eampotentials/
Email
hsheng@gmu.edu
Prof. Donald Siegel
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Mechanical Engineering
Institute
University of Michigan
Location
Ann Arbor, MI, USA
Materials
Bibliography
Website
http://www.umich.edu/~djsiege
Professor and Department Head Susan B Sinnott
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Materials Science and Engineering
Institute
Penn State University
Location
State College, PA, USA
Description
Materials
Bibliography
Website
http://www.matse.psu.edu/directory/faculty/susan-sinnott
Email
sbs5563@psu.edu
Associate Professor Srinivasan G Srivilliputhur
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/srinivasansrivilliputhur
Department
Materials Science and Engineering
Institute
University of North Texas
Location
Denton, TX, USA
Description
Materials
Bibliography
Website
http://engineering.unt.edu/materials/dr-srinivasan-srivilliputhur
Dr. Sergey Starikov
Institute
Joint Institute for High Temperatures
Location
Moscow, Russian Federation
Description
Materials
Bibliography
Email
redshuhart@yandex.ru
Prof. Alejandro Strachan
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/strachan
Department
Materials Engineering
Institute
Purdue University
Location
West Lafayette, Indiana, USA
Description
Email
strachan@purdue.edu
Dr. Alexander Stukowski
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Materials Science
Institute
Darmstadt University of Technology
Location
Darmstadt, Germany
Description
Website
http://www.mawi.tu-darmstadt.de/mm/mm_mm_sw/gruppe_mm_sw_1/mitarbeiterdetails_mm_2307.en.jsp
Email
stukowski@mm.tu-darmstadt.de
Prof. Adrian P Sutton
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/asutton
Department
Physics
Institute
Imperial College London
Location
London, United Kingdom
Description
Materials
Bibliography
Prof. Ellad B Tadmor
Institute
University of Minnesota
Bibliography
Website
http://www.aem.umn.edu/~tadmor/
Dr. Aidan P Thompson
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/athomps
Department
Center for Computing Research
Institute
Sandia National Laboratories
Location
Albuquerque, NM, USA
Description
Materials
Bibliography
Website
http://www.cs.sandia.gov/~athomps/
Email
athomps@sandia.gov
Prof. Yoshitaka Umeno
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/Yoshi-Umeno
Department
Institute of Industrial Science
Institute
The University of Tokyo
Location
Meguro-ku, Tokyo, Japan
Description
Materials
Bibliography
Email
umeno@iis.u-tokyo.ac.jp
Professor Adri C. van Duin
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Mechanical Engineering
Institute
Penn State, Material Computation Center
Location
University Park, PA, USA
Description
Materials
Bibliography
Website
https://www.mri.psu.edu/materials-computation-center
Email
acv13@psu.edu
Prof. Vasek Vitek
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/vitek
Department
Materials Science and Engineering
Institute
University of Pennsylvania
Location
Philadelphia, PA, USA
Description
Materials
Bibliography
Email
vitek@seas.upenn.edu
Prof. Anatole von Lilienfeld
Institute
Free University of Brussels and University of Basel
Description
Materials
Bibliography
Mr. Yanming Wang
OpenKIM User Profile and Repository Contributions
https://openkim.org/profile/
Department
Materials Science and Engineering
Institute
Stanford University
Location
Stanford, California, USA
Description
Materials
Email
yanmingw@stanford.edu
Dr. Xiaowang Zhou
Institute
Sandia National Laboratory
Description
Materials
Bibliography
Email
xzhou@sandia.gov