Alternatives and similar repositories for Perovskite-Device-Doctor:

Users that are interested in Perovskite-Device-Doctor are comparing it to the libraries listed below

• gabkrenzer / vaspMD
  A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…
  ☆21Updated last year
• uw-cmg / perovskite-oxide-stability-prediction
  code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…
  ☆25Updated 6 years ago
• yuanyue-liu-group / CP-VASP
  ☆35Updated 4 months ago
• ttadano / DistortPerovskite
  Script to generate distorted perovskite structures
  ☆10Updated last year
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆23Updated 10 months ago
• jcwang587 / xdatbus
  A Python package for enhancing VASP AIMD simulations and analysis
  ☆12Updated this week
• ldwillia / SL3ME
  A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
  ☆28Updated 3 years ago
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆19Updated 6 years ago
• DefAP / defap
  DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …
  ☆20Updated 11 months ago
• mzkhalid039 / DWBuilder
  Ferroelectric/Ferroelastic domain wall builder
  ☆17Updated 4 months ago
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆32Updated 2 years ago
• bzkarimi / VASP
  Practical guide on how to use VASP
  ☆19Updated 4 years ago
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆28Updated last year
• mogroupumd / aimd
  ☆41Updated 6 years ago
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆15Updated last year
• WMD-group / polytype
  A set of tools and structures for modelling perovskite polytypes
  ☆11Updated last year
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆17Updated 2 years ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆35Updated last week
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆27Updated 11 months ago
• r2stanton / pyrovskite
  A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.
  ☆24Updated 5 months ago
• janosh / ffonons
  Phonons from ML force fields
  ☆17Updated last month
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆26Updated 10 months ago
• drinwater / Nudged-Elastic-Band-Tutorial
  A simple walkthrough and template for NEB runs on VASP.
  ☆14Updated 3 years ago
• SMTG-Bham / galore
  Gaussian and Lorentzian smearing of simulated spectra
  ☆38Updated 4 months ago
• CJBartel / TestStabilityML
  ☆27Updated last year
• joelager / Electrocatalysis-microkinetic-analysis
  Microkinetic models for electrochemical CO stripping and hydrogen oxidation
  ☆13Updated 4 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 8 months ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆51Updated 3 months ago
• icomse / DFT_summer_2022
  Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
  ☆13Updated last year
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago