microkinetic model of chemical reaction, 微观动力学模型总结
☆15Sep 17, 2025Updated 5 months ago
Alternatives and similar repositories for microkinetic-model
Users that are interested in microkinetic-model are comparing it to the libraries listed below
Sorting:
- ☆30Jan 4, 2026Updated last month
- ASE interface for fully constant potential with VASP☆42Oct 14, 2024Updated last year
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆14Oct 27, 2015Updated 10 years ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Dec 27, 2018Updated 7 years ago
- Some examples of using pymatgen code☆23Sep 20, 2024Updated last year
- Tutorials for Quantum Espresso☆26Aug 18, 2022Updated 3 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆28Mar 5, 2023Updated 2 years ago
- ☆77Apr 16, 2025Updated 10 months ago
- To Learn use meep to so simulations☆11Feb 15, 2025Updated last year
- “Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti…☆32Jun 14, 2020Updated 5 years ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆24Feb 14, 2025Updated last year
- Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.☆11Nov 10, 2022Updated 3 years ago
- ☆37Oct 8, 2019Updated 6 years ago
- Matlab -python -lumerical FDTD ,quick build the mode and access result data☆11Jul 27, 2022Updated 3 years ago
- 笔记☆11Aug 19, 2024Updated last year
- Visualize interactively phonon dispersions and their eigenvectors☆14Feb 7, 2025Updated last year
- ☆10Jun 9, 2017Updated 8 years ago
- This is the demo code of our work "A Base Map-Guided Global Localization Solution for Heterogeneous Multi-Robot Systems Using a Co-View C…☆12Jun 4, 2024Updated last year
- Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.☆13Nov 15, 2023Updated 2 years ago
- JDFTx: software for joint density functional theory☆100Jan 13, 2026Updated last month
- Solvation model for the plane wave DFT code VASP.☆171Oct 1, 2025Updated 5 months ago
- Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)☆11Apr 29, 2022Updated 3 years ago
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 6 years ago
- A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions usin…☆14Jan 1, 2026Updated 2 months ago
- A general linear model for microkinetic catalytic systems.☆10Feb 8, 2023Updated 3 years ago
- Media(Video/Audio) Playback Enhancement for Obsidian.md☆10Jul 11, 2023Updated 2 years ago
- Outdoor_navigation based on RTK-LIDAR-IMU-Wheel_odom.lidar used velodyne,imu don't have mag.☆10Apr 22, 2022Updated 3 years ago
- ☆10Jun 30, 2022Updated 3 years ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Multi sensor lidat-visual-imu fusion odometry☆11Nov 3, 2021Updated 4 years ago
- Book on Chemical Reactions and Dynamical Systems☆15Apr 11, 2023Updated 2 years ago
- Slurm Examples☆10Aug 30, 2024Updated last year
- arbitrary precision clebsch-gordan coefficients for SO(3)☆14Apr 5, 2023Updated 2 years ago
- Add tooltip to your obsidian canvas's nodes and navigation between nodes☆16Jan 7, 2026Updated last month
- ☆10Aug 20, 2024Updated last year
- Learning Matchable Image Transformations☆13Sep 10, 2019Updated 6 years ago
- 利用学术翻译模板和chatGPT桌面客户端或者免费镜像网站,实现自动化翻译并深入剖析文章脉络☆10Apr 17, 2023Updated 2 years ago
- ☆13Apr 24, 2024Updated last year