Accelerated Design of Layered Materials with Bayesian Optimization
☆19Dec 10, 2018Updated 7 years ago
Alternatives and similar repositories for Bayesian_Optimization_Material_design
Users that are interested in Bayesian_Optimization_Material_design are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Data-driven risk-conscious thermoelectric materials discovery☆18Jul 31, 2026Updated 2 months ago
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Apr 7, 2020Updated 6 years ago
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 7 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆16Sep 25, 2023Updated 3 years ago
- ☆16Apr 8, 2023Updated 3 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- ☆18Oct 25, 2022Updated 4 years ago
- Estimate the thermal conductivity using empirical models☆13Mar 19, 2021Updated 5 years ago
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago
- A physics computational framework for python and ipython☆39Jul 11, 2025Updated last year
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆53Aug 12, 2026Updated 2 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 9 months ago
- ☆13Nov 19, 2019Updated 6 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Tools for Phono(3)py power users.☆38Oct 23, 2023Updated 3 years ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Curre…☆12Jan 15, 2021Updated 5 years ago
- A streamlit web application for running PyFock interactively on the web or your own PC.☆15Sep 15, 2026Updated last month
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- Deep Learning Analysis of Defect and Phase Evolution During Electron Beam Induced Transformations in WS2☆13Aug 14, 2018Updated 8 years ago
- Molecular dynamics simulations in Python and Cython. Simulates Lennard-Jones particles in the NVE ensemble using the Verlet method and hi…☆12Jun 2, 2015Updated 11 years ago
- ☆13Dec 15, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- A Flexible Tool for EM-Radiation-emitting Semiconductor Heterostructure Optimization using Quantum models☆11Nov 3, 2020Updated 5 years ago
- Tutorial material for hands-on sessions (work in progress)☆26Jun 12, 2021Updated 5 years ago
- ☆23Jun 29, 2026Updated 4 months ago
- A curated list of awesome resources on using machine learning and data science for discovery of physical laws☆40Jun 22, 2020Updated 6 years ago
- An attention-based deep neural network for thermoelectric transport properties☆17Apr 5, 2023Updated 3 years ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆15Oct 23, 2026Updated last week
- A phonon irreducible representations calculator☆24Apr 11, 2024Updated 2 years ago
- ☆12Apr 17, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆14May 26, 2021Updated 5 years ago
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆11Aug 25, 2021Updated 5 years ago
- A python script to plot an energy level diagram from an input file.☆30Nov 24, 2020Updated 5 years ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆30Oct 15, 2025Updated last year
- Julia codes to play with Phonons☆25Nov 7, 2018Updated 7 years ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Oct 1, 2020Updated 6 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated 2 years ago