Lists (31)
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Active matter
Advanced sampling
Anomalous diffusion
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Biophysics
Brownian motion and Langevin
CG MARTINI
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COMSOL
Electric double layer
Finance
Fluid mechanics
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Just for fun
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Starred repositories
My collection of functions commonly encountered in C/C++ programs for physical modelling and simulation.
JAX-based framework for Lattice Hamiltonian simulation
SI for n-hexanol solvation in water and n-octanol
Scripts to build Markov State Models to unveil the reaction kinetics of carbon in supercritical water based on first principles molecular dynamics simulations.
A hierarchical, component based molecule builder
Package to perform minimum-distance distribution analyses of complex solute-solvent interactions
Workshop on the preparation, execution, and analysis of protein molecular dynamics simulations
Single polymer chain simulation; linear or circular configuration, optional and adjustable excluded volume force.
A generic solver for Ornstein-Zernike equations from liquid state theory
A generic and fast solver of mode-coupling theory-like integrodifferential equations
Collection of notebooks about quantitative finance, with interactive python code.
Simulation and analysis code for active matter research
Numerically solve the Fokker-Planck equation in N dimensions
Interactive Streamlit app simulating Geometric and Arithmetic Brownian Motion. Visualize financial asset price movements with adjustable parameters for paths, time steps, volatility, and initial pr…
pothos: A Python Package for Polymer Chain Orientation and Microstructure Evolution
Polymer field theories with Complex Langevin Dynamics in Python
Support Code for article "Learning the Non-Equilibrium Dynamics of Brownian Movies" (Gnesotto et al. Nat. Comm. XXX)
Python implementation of the force and diffusion inference method described in (Frishman and Ronceray, Phys. Rev. X 10, 021009, 2020).
Debye's scattering equation & other analysis of atomistic models.
Code to simulate dense inertialess suspensions under shear.
Colab Notebooks covering deep learning tools for biomolecular structure prediction and design
A MD Analysis Class for calculating the charge, dipole and quadrapole density distributions
cylindr - tool for calculating cylindrical distribution function from an MD trajectory
Files associated to the manuscript entittle: Assessment of the MARTINI 3 Performance for Short Peptides Self-assembly