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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

2010

W Cheng, L Liu, P Yu, Z Ma, and S Mao

2010

L. Schimka, J. Harl, A. Stroppa, A. Grüneis, M. Marsman, F. Mittendorfer, and G. Kresse

2010

C Hinkle, R Galatage, R Chapman, E Vogel, H Alshareef, Clive Freeman, Erich Wimmer, H Niimi, A Li-Fatou, J Shaw, and J Chambers

2010

Erich Wimmer, R Najafabadi, G A Young Jr., J D Ballard, T M Angeliu, J Vollmer, J J Chambers, H Niimi, J B Shaw, Clive Freeman, Mikael Christensen, Walter Wolf, and Paul Saxe

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