Alternatives and similar repositories for EchemSimulations

Users that are interested in EchemSimulations are comparing it to the libraries listed below

• oliverrdz / SoftPotato_Desktop
  Open source electrochemistry simulator of typical techniques (CV, CA) and GUI.
  ☆23Updated 2 years ago
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆54Updated 3 years ago
• kiranvad / pyMECSim
  Python Cyclic Voltammetry Simulator based on MECSim
  ☆22Updated 4 years ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆30Updated 6 years ago
• nanotech-empa / cp2k-spm-tools
  Scanning probe microscopy simulation tools based on CP2K
  ☆14Updated 2 weeks ago
• JeroenMulkers / lammps_graphene
  Lammps tutorial: graphene simulations
  ☆32Updated 4 years ago
• diegonti / VASP-MXenes
  Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.
  ☆11Updated last year
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆22Updated 4 years ago
• joelager / Electrocatalysis-microkinetic-analysis
  Microkinetic models for electrochemical CO stripping and hydrogen oxidation
  ☆13Updated 4 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆46Updated 6 years ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated last year
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 5 months ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated last year
• bjmorgan / vasppy
  A Python suite for manipulating VASP input and output
  ☆46Updated last year
• Baijianlu / mDCThermalC
  A software to calculate thermal conductivity quickly and accurately
  ☆35Updated 5 years ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆53Updated this week
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆53Updated last week
• SUNCAT-Center / CatHub
  Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.
  ☆29Updated 11 months ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆36Updated 4 years ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆58Updated 3 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆69Updated last month
• zhongliliu / elastool
  A toolkit for automatic calculation and analysis of elastic constants
  ☆51Updated last year
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆62Updated 9 months ago
• potfit / potfit
  potfit force-matching code
  ☆38Updated last year
• marcobn / QETutorials
  Tutorials for Quantum Espresso
  ☆19Updated 2 years ago
• WMD-group / CarrierCapture.jl
  Julia package to compute trap-assisted electron and hole capture in semiconductors
  ☆56Updated last month
• luzihen / pymatgen_examples
  Some examples of using pymatgen code
  ☆23Updated 9 months ago
• hidecode221b / LG4X
  A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…
  ☆54Updated 2 weeks ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆50Updated last year