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"Computational material science tools have revolutionized the evaluation of neutron thermal scattering laws.  All of the new thermal scattering laws including in the new US national ENDF/B-VIII.0 nuclear data library were developed using DFT or MD simulations.  The vast majority were developed by MedeA users using VASP, PHONON, and LAMMPS."

-Michael L. Zerkle, Ph.D.

Senior Advisor, Reactor Physics Methods Development, Naval Nuclear Laboratory

Publications

Machine-learned interatomic potentials: Recent developments and prospective applications

2023

Volker Eyert, Jonathan Wormald, William A. Curtin, and Erich Wimmer

Polyvalent machine-learned potential for cobalt: From bulk to nanoparticles

2024

Marthe Bideault, Jérome Creuze, Ryoji Asahi and Erich Wimmer

2007

René Windiks Erich Wimmer Leonid Pourovskii Silke Biermann Antoine Georges

2007

Z Stoeva, B Jäger, R Gomez, S Messaoudi, M Ben Yahia, X Rocquefelte, G B Hix, W Wolf, J J Titman, R Gautier, P Herzig, D H Gregory

2007

E Bauer, A Grytsiv, Xing-Qiu Chen, N Melnychenko-Koblyuk, G Hilscher, H Kaldarar, H Michor, E Royanian, G Giester, M Rotter, Raimund Podloucky, P Rogl

2007

Xing-Qiu Chen, Walter Wolf, Raimund Podloucky, Peter Franz Rogl, Martijn Marsman

2007

Alessandro Stroppa, Konstantinos Termentzidis, Joachim Paier, Georg Kresse, Jürgen Hafner

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