Markov-chain sampling for long-range systems without evaluating the energy
G Tartero, W Krauth - arXiv preprint arXiv:2406.00184, 2024 - arxiv.org
In past decades, enormous effort has been expended to develop algorithms and even to
construct special-purpose computers in order to efficiently evaluate total energies and forces …
construct special-purpose computers in order to efficiently evaluate total energies and forces …
[PDF][PDF] Non-Reversible Markov-Chain Monte Carlo: Theoretical Foundations and Applications in Molecular Simulation
P Höllmer - 2024 - d-nb.info
The overarching objective of this doctoral thesis is the development of a rigorous paradigm
for molecular simulation based on non-reversible Markov-chain Monte Carlo (MCMC) …
for molecular simulation based on non-reversible Markov-chain Monte Carlo (MCMC) …