Materials Science · Physics
Structural transitions in dense disordered silicon from quantum-accurate ultra-large-scale simulations
Volker L. Deringer, Noam Bernstein, Gábor Csányi, Mark Wilson +2
2019-12-17
Materials Science · Physics
Machine learning driven simulated deposition of carbon films: from low-density to diamondlike amorphous carbon
Miguel A. Caro, Gábor Csányi, Tomi Laurila, Volker L. Deringer
2020-11-05
Disordered Systems and Neural Networks · Physics
Is the Future of Materials Amorphous? Challenges and Opportunities in Simulations of Amorphous Materials
Ata Madanchi, Emna Azek, Karim Zongo, Laurent K. Béland +2
2024-11-19
Materials Science · Physics
Ab initio study of the structure and properties of amorphous silicon hydride from accelerated molecular dynamics simulations
Raymond Atta-Fynn, Somilkumar J. Rathi, Harsh Arya, Parthapratim Biswas
2023-09-19
Materials Science · Physics
Formation and Classification of Amorphous Carbon by Molecular Dynamics Simulation
Atsushi M. Ito, Arimichi Takayama, Seiki Saito, Hiroaki Nakamura
2015-06-05
Materials Science · Physics
Computational diffraction reveals long-range strains, disorder and crystalline domains in atomic scale simulations
Alexandre Boulle, Alain Chartier, Aurélien Debelle, Xin Jin +1
2021-07-20
Mesoscale and Nanoscale Physics · Physics
Computational methods for 2D materials modelling
A. Carvalho, P. E. Trevisanutto, S. Taioli, A. H. Castro Neto
2021-10-27
Materials Science · Physics
Molecular dynamics simulations of the growth of thin amorphous hydrogenated carbon films on diamond surface
Chuan-guo Zhang, Yong Yang, Ting Hao, Ming Zhang
2014-11-27
Soft Condensed Matter · Physics
Application of molecular simulations: Insight into liquid bridging and jetting phenomena
I. Nezbeda, J. Jirsák, F. Moučka, W. R. Smith
2016-08-08
Materials Science · Physics
Amorphous nucleation precursor in highly nonequilibrium fluids
Gyula I. Tóth, Tamás Pusztai, György Tegze, Gergely Tóth +1
2015-05-30