6 citations · 11 across the 5 of their papers we have counts for
5 papers
InterPhon: Ab initio Interface Phonon Calculations within a 3D Electronic Structure Framework
In Won Yeu, Gyuseung Han, Kun Hee Ye +2
This work provides the community with an easily executable open-source Python package designed to automize the evaluation of Interfacial Phonons (InterPhon). Its strategy of arbitr…
Influence of surface structure and strain on indium segregation in InGaAs: a first-principles investigation
Soumya S. Bhat, Satadeep Bhattacharjee, Jung-Hae Choi +1
The surface segregation of indium atoms in InGaAs is investigated using first-principles calculations based on density functional theory. Through the calculation of segregation ene…
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…
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…
Monte Carlo simulations of the structure of Pt-based bimetallic nanoparticles
Kayoung Yun, Yong-Hun Cho, Pil-Ryung Cha +5
Pt-based bimetallic nanoparticles have attracted significant attention as a promising replacement for expensive Pt nanoparticles. In the systematic design of bimetallic nanoparticl…