https://arxiv.org/abs/cond-mat/0201015
[cond-mat/0201015] The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave...
Abstract page for arXiv paper cond-mat/0201015: The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions
ab initio molecular dynamics
https://www.osti.gov/pages/biblio/1877140-ab-initio-molecular-dynamics-free-energy-study-enhanced-copper-ii-dimerization-mineral-surfaces
Ab initio molecular dynamics free energy study of enhanced copper (II) dimerization on mineral...
The U.S. Department of Energy's Office of Scientific and Technical Information
ab initio molecular dynamics
https://www.aanda.org/articles/aa/full_html/2019/09/aa34035-18/aa34035-18.html
Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study |...
ab initio molecular dynamics
https://www.data.gov.uk/dataset/a0d5f407-9f38-4a3d-b353-f4845134869e/input-parameters-for-ab-initio-molecular-dynamics-simulations-of-water-at-non-ambient-pressure-
Input parameters for ab initio molecular dynamics simulations of water at non-ambient pressure and...
ab initio molecular dynamics
https://www.preprints.org/manuscript/202207.0310
Ab-initio Molecular Dynamics Simulation of the Changes in the Optical Properties of 2D MoS2 When...
Using first-principles molecular dynamics (FPMD), we performed numerical simulations at 300 K to explore the interaction of a 2D MoS2 surface and a platinum...
ab initio molecular dynamics