Accelerated Design of Layered Materials with Bayesian Optimization
☆20Dec 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☆17Nov 12, 2025Updated 4 months ago
- ☆15Apr 8, 2023Updated 3 years ago
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Apr 7, 2020Updated 6 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Sep 25, 2023Updated 2 years ago
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 6 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Tools for Phono(3)py power users.☆36Oct 23, 2023Updated 2 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 2 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆53May 9, 2025Updated 11 months ago
- A phonon irreducible representations calculator☆22Apr 11, 2024Updated 2 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
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Deep Learning Analysis of Defect and Phase Evolution During Electron Beam Induced Transformations in WS2☆13Aug 14, 2018Updated 7 years ago
- Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Curre…☆13Jan 15, 2021Updated 5 years ago
- A software to calculate thermal conductivity quickly and accurately☆38Feb 20, 2020Updated 6 years ago
- ☆21Dec 19, 2024Updated last year
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 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 10 years ago
- An attention-based deep neural network for thermoelectric transport properties☆18Apr 5, 2023Updated 3 years ago
- A physics computational framework for python and ipython☆39Jul 11, 2025Updated 9 months ago
- ☆14May 26, 2021Updated 4 years ago
- 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.
- A curated list of awesome resources on using machine learning and data science for discovery of physical laws☆39Jun 22, 2020Updated 5 years ago
- ☆17Oct 25, 2022Updated 3 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆29Oct 15, 2025Updated 5 months ago
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆10Aug 25, 2021Updated 4 years ago
- A python script to plot an energy level diagram from an input file.☆30Nov 24, 2020Updated 5 years ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆12Jan 9, 2026Updated 3 months ago
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster.☆18Feb 2, 2017Updated 9 years ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Oct 1, 2020Updated 5 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)☆28Jun 12, 2021Updated 4 years ago
- ☆12Feb 14, 2022Updated 4 years ago
- python enhancements of ase.calculators.vasp☆28Jun 3, 2016Updated 9 years ago
- Non-equilibrium green's function method☆17Nov 26, 2015Updated 10 years ago