Code I have written for course: Statistical Mechanics and Computations
☆28Sep 1, 2025Updated 9 months ago
Alternatives and similar repositories for smac
Users that are interested in smac are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Algorithms used in Statistical Mechanics☆19Sep 29, 2019Updated 6 years ago
- ☆10Jun 9, 2017Updated 9 years ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Apr 11, 2021Updated 5 years ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Oct 7, 2017Updated 8 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆47May 26, 2026Updated 2 weeks ago
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆13May 13, 2019Updated 7 years ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆38Apr 7, 2019Updated 7 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆22May 7, 2026Updated last month
- This is a mirror. See https://gitlab.com/team-parker/mudslide for development☆20May 23, 2026Updated 3 weeks ago
- A 100-line Matlab code for phonon transport in 1D atomic chain using the NEGF method☆14Nov 5, 2018Updated 7 years ago
- Python package for generating Markov state models☆17Mar 13, 2026Updated 3 months ago
- A field theory inspired xAct package for Mathematica☆17Jul 28, 2016Updated 9 years ago
- Density Functional Theory with Finite Difference and Lagrange Function Basis Sets☆14Oct 29, 2015Updated 10 years ago
- AI Agents on 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.
- ☆17Jan 12, 2022Updated 4 years ago
- This is a small python library to generate the basis and many-body Hamiltonian for the Fermi-Hubbard model.☆27Nov 9, 2015Updated 10 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆33Oct 30, 2022Updated 3 years ago
- "No non-poetic account of reality can be complete." ― John Myhill☆12Nov 18, 2019Updated 6 years ago
- Bayesian inference of conformational populations☆14Jun 11, 2025Updated last year
- ☆29Aug 21, 2023Updated 2 years ago
- ❤️ 中华民族文学著作：红楼梦，西游记，水浒传，三国演义等。☆15Dec 11, 2023Updated 2 years ago
- A matlab implementation of density functional theory, for demonstrative purpose☆21Sep 23, 2017Updated 8 years ago
- Notebooks for NYU Statistical Mechanics☆20Jul 6, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Just for Fun☆17Mar 8, 2025Updated last year
- Source Code for 'Advanced Data Analytics Using Python, 2nd Edition' by Sayan Mukhopadhyay☆13Jun 28, 2022Updated 3 years ago
- My notes from Theoretical Minimum Lectures☆18Mar 8, 2025Updated last year
- Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…☆344Mar 22, 2026Updated 2 months ago
- ☆17Dec 13, 2022Updated 3 years ago
- This site contains all document relevant for the Machine Learning courses of the Erasmus+ network. Jupyter-book link at https://compphys…☆14Jan 18, 2024Updated 2 years ago
- Python implementation of the standard Lanczos Algorithm to find the m "most useful" eigenvalues of a Hermitian matrix.☆13Jul 25, 2022Updated 3 years ago
- Building MD simulations for polymer electrolyte system☆14Oct 6, 2025Updated 8 months ago
- Elements of Financial Risk Management in Python☆12Jan 10, 2021Updated 5 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Affine Term-Structure Models: Theory and Implementation☆14Apr 6, 2020Updated 6 years ago
- Calculate many-body states of an impurity Anderson model and spectra (e.g. XPS, XAS, RIXS, NIXS)☆24Jul 4, 2024Updated last year
- Detect and characterize binding pockets from molecular simulations.☆17Mar 17, 2026Updated 2 months ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Compare optimized geometries and energies from various force fields with respect to a QM reference.☆14Apr 19, 2021Updated 5 years ago
- ☆11Oct 18, 2019Updated 6 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆44May 31, 2026Updated 2 weeks ago