HTP Computer Codes

Molecular Dynamics Simulations

– Two-Dimensional MD

– Three-Dimensional Liquid MD

– Thermal Conductivity MD & G-K Relation

Monte Carlo Simulations

– Mobility (Drift velocity)

– Barrier Phonon Energy Conversion

–Phonovoltaic Cell

Density Functional Theory

–  ABINIT

Input file for the electronic structure calculation in liquid metal GaInSn

– Quantum Espresso

Input files for the anharmonic phonon-phonon lifetimes in Ge.

Program to evaluate Gamma-point phonon lifetimes using Quantum Espresso output

– VASP

INCAR for AIMD in liquid metal GaInSn

– WIEN2K

Input files for the self-consistent field (SCF) calculations in PbTe