60 skills found · Page 1 of 2
CalebBell / ThermoThermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
wigging / ChemicsA Python package for chemical engineering
phoebe-team / PhoebeA high-performance framework for solving phonon and electron Boltzmann equations
FourPhonon / FourPhononAn extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
drunsinn / PyXSteamPython library for calculating properties of Steam and Water
nakib / ElphboltA solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
yangjio4849 / TransOptThe package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using (1) the momentum matrix method (Method 1) or (2) derivative method same as adopted in BoltzTrap (Method 2).
USCCACS / ThermalToolsLAMMPS plugins for thermal conductivity and density of states calculation
romanodev / OpenBTEPhonon Boltzmann Transport Equation
sissaschool / SportranA code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermocepstrum"]
Baijianlu / MDCThermalCA software to calculate thermal conductivity quickly and accurately
JuliaPhysics / ThinFilmsTools.jlTools for the design and characterisation of thin-films written in Julia.
vanceeasleaf / AcesA wrapper for many computational codes of thermal conductivity
anufrievroman / FreepathsMonte Carlo simulator of phonon and heat transport in nanostructures
eminamitani / Thermal Conductivity CodeAllen-Feldman thermal conductivity compatible to GULP implementation
larsgeb / Rayleigh BernardA simple finite difference scheme for the Rayleigh-Bernard equations (buoyancy driven convection).
MPA2suite / AutoWTEBenchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
se-schmitt / EntropyScaling.jlModeling transport properties of fluids (viscosity, thermal conductivity, diffusion coefficients) based on entropy scaling and the Chapman-Enskog theory
erny123 / MD GreenKubo Thermal ConductivityThe thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem
stewu5 / HighTCond Polymer IqsprR codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
