Results 241 to 250 of about 121,447 (265)

First-Principles Calculations 1

2020
Hartwin Peelaers, Chris G. Van de Walle
openaire   +1 more source

Deformation potential extraction and computationally efficient mobility calculations in silicon from first principles

Physical Review B, 2021
Neophytos Neophytou, , Patrizio Graziosi   +2 more
exaly  

First-Principles Calculations of Structural and Mechanical Properties of Cu–Ni Alloys

Crystals, 2023
Qi-Jun Liu, Zhengtang Liu, Liu Zhengtang   +2 more
exaly  

First principles phonon calculations in materials science

Scripta Materialia, 2015
Atsushi Togo
exaly  

Cu-Doped ZnO Electronic Structure and Optical Properties Studied by First-Principles Calculations and Experiments

Materials, 2019
Fengzhang Ren, Alex Volinsky, Zhanhong Ma   +2 more
exaly  

First-Principle Calculations

2016
openaire   +1 more source

Vibrational properties of sodosilicate glasses from first-principles calculations

Physical Review B, 2019
Dimitrios Kilymis, Jean-Marc Delaye, Simona Ispas   +2 more
exaly  

Pressure-induced novel compounds in the Hf-O system from first-principles calculations

Physical Review B, 2015
Zhenhai Wang, Artem R Oganov, Kan-Hao Xue   +2 more
exaly  

First-principles Green-Kubo method for thermal conductivity calculations

Physical Review B, 2017
Lin-Wang Wang, Jun Kang
exaly  

Copper, gold, and platinum under femtosecond irradiation: Results of first-principles calculations

Physical Review B, 2020
Nikolai Smirnov
exaly