activity
20122020
most citedInterPhon: Ab initio Interface Phonon Calculations within a 3D Electronic Structure Framework

6 citations · 11 across the 5 of their papers we have counts for

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Showing 2019Show all

2 papers · 1 filter

cond-mat.mtrl-sci2019★ 1 cited

AMMCR: Ab-initio model for mobility and conductivity calculation by using Rode Algorithm

Anup Kumar Mandia, Bhaskaran Muralidharan, Jung-Hae Choi +2

We present a module to calculate the mobility and conductivity of semi-conducting materials using Rode's algorithm. This module uses a variety of electronic structure inputs derive…

cond-mat.mtrl-sci2019

Error Minimization in Predicting Accurate Adsorption Energies Using Machine Learning

Sanjay Nayak, Satadeep Bhattacharjee, Jung-Hae Choi +1

Finding the "ideal" catalyst is a matter of great interest in the communities of chemists and material scientists, partly because of its wide spectrum of industrial applications. I…