A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software tools.
☆25Aug 29, 2020Updated 6 years ago
Alternatives and similar repositories for KMC_Lattice
Users that are interested in KMC_Lattice are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆28Oct 29, 2022Updated 4 years ago
- A MATLAB program for simulating film growth using Kinetic Monte Carlo.☆15Mar 10, 2021Updated 5 years ago
- A kinetic Monte Carlo Python/C++ library.☆143Apr 2, 2024Updated 2 years ago
- Excimontec is an open-source KMC simulation software package for modeling the optoelectronic processes in organic semiconductor materials…☆37Sep 26, 2022Updated 4 years ago
- A C++ software tool for generating and analyzing model bulk heterojunction morphologies in a parallel computing environment☆12Nov 27, 2020Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier☆66Feb 1, 2026Updated 9 months ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆29Aug 14, 2019Updated 7 years ago
- python and bash scripts for setting up and post-processing of charged defects calculations☆13Apr 6, 2021Updated 5 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆20Oct 27, 2019Updated 7 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using MPI pa…☆11Jun 16, 2021Updated 5 years ago
- Data relevant to the article "Machine learning determination of atomic dynamics at grain boundaries" https://arxiv.org/abs/1803.01416☆11Oct 2, 2018Updated 8 years ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆13Aug 23, 2021Updated 5 years ago
- Lattice gas Monte Carlo simulation code☆36Updated this week
- Kinetic Monte Carlo Simulator☆31Jun 18, 2026Updated 4 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A Fortran90 program for unfolding phonon dispersions☆13Jun 12, 2020Updated 6 years ago
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆14Jul 29, 2022Updated 4 years ago
- gpvdm☆11Apr 7, 2022Updated 4 years ago
- elastic_vasp is a VASP-based Python tool that generates strained structures and extracts elastic constants from strain-energy calculati…☆15Apr 14, 2026Updated 6 months ago
- Analyse molecular dynamics simulations of solid-state ion transport by assigning mobile ions to discrete sites☆18Oct 23, 2026Updated 2 weeks ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆16Sep 5, 2026Updated 2 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆34Sep 11, 2026Updated last month
- Temporal Segmentation based on Information Gain☆14Jun 25, 2022Updated 4 years ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆20Oct 29, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆39May 20, 2026Updated 5 months ago
- ☆16Sep 30, 2026Updated last month
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 6 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- Open-Source Software for the Multiscale Modeling of Combined Antisolvent and Cooling Crystallization in Turbulent Flow Using OpenFOAM☆11Nov 4, 2019Updated 7 years ago
- Contains the model used for impact simulations in the article Dewapriya and Miller, Comput. Mater. Sci., Vol. 195, 110504 (2021).☆13Jul 14, 2021Updated 5 years ago
- Calculate higher-order elastic constant by first-principles or machine learning force field (interatomic potential)☆13Oct 24, 2026Updated last week
- In this repository you will find scripts, datasets, examples developped in the book "System Reliability Theory; Models, Statistical Metho…☆22Feb 22, 2021Updated 5 years ago
- The open framework for on-the-fly off-lattice kinetic Monte Carlo simulations.☆16Mar 11, 2024Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- A Julia package for fitting the equation of state of solids, and more☆16Jun 18, 2026Updated 4 months ago
- Files used in tutorials☆47Apr 26, 2020Updated 6 years ago
- DMFT with CTQMC. The Dynamical Mean Field Theory (DMFT) with the continuous-time auxiliary-field Quantum Monte Carlo method with Julia 1.…☆20Aug 9, 2018Updated 8 years ago
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆129Nov 13, 2023Updated 2 years ago
- This Python script, get_VDOS.py, is designed to calculate the Vibrational Density of States (VDOS) from molecular dynamics trajectory fil…☆16Nov 27, 2023Updated 2 years ago
- Atomic interaction potentials based on artificial neural networks☆130Oct 11, 2026Updated 3 weeks ago
- Estimate the thermal conductivity using empirical models☆13Mar 19, 2021Updated 5 years ago