1 citations · 2 across the 4 of their papers we have counts for
4 papers
ScaleLat: A chemical structure matching algorithm for mapping atomic structure of multi-phase system and high entropy alloys
Nan Li, Junming Guo, Sateng Li +5
ScaleLat (Scale Lattice) is a computer program written in C for performing the atomic structure analysis of multi-phase system or high entropy alloys (HEAs). The program implements…
FEcMD: A multi-physics and multi-scale computational program for electron emission characteristics dynamically coupled with atomic structure in metal nano-emitters
Nan Li, Xinyu Gao, Xianghui Feng +3
Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying the electron emission characteristics and the atomic structu…
Assessing r2SCAN meta-GGA functional for structural parameters, cohesive energy, mechanical modulus and thermophysical properties of 3d, 4d and 5d transition metals
Haoliang Liu, Xue Bai, Jingliang Ning +7
The recent development of the accurate and efficient semilocal density functionals on the third rung of Jacob's ladder of density functional theory such as the revised regularized…
Effect of orbital-overlap dependence in density functionals
Jianwei Sun, Bing Xiao, Adrienn Ruzsinszky
The semilocal meta generalized gradient approximation (MGGA) for the exchange-correlation functional of Kohn-Sham (KS) density functional theory can yield accurate ground-state ene…