2014: Variational Monte Carlo for the harmonic oscillator, helium, hydrogen and H2 - IPython notebook and FORTRAN90
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Continuously tempered Hamiltonian Monte Carlo
Quantum Computation programs
Code for my master thesis at the Scientific Computing chair @ TUM under the supervision of Prof. ...
Essay on Hamiltonian Monte Carlo in PyMC3
Hartree Fock solver
A simple pytorch implementation of Langevin Monte Carlo algorithms.
1D density functional theory code in Python
Bayesian geometry optimization experiments
Jupyter Noteboks for lecture and assignments for CHEM 1000: Mathematics for Chemistry at Universi...
Introduction to quantum Monte Carlo. From the foundations to state-of-the-art Restricted Boltzman...
Quasidynamic earthquake cycle models.
2016: Molecular dynamics simulation of an Argon gas