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


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


INCAR for AIMD in liquid metal GaInSn


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