Explores quantum correlation functions and their role in molecular dynamics simulations, including the reconstruction of standard correlation functions from Kubo-transformed ones.
Explores Molecular Dynamics simulations for studying cement materials and diffusion processes, covering algorithms, force fields, data analysis, and recommended resources.
Explores computer simulations in cell biology, focusing on Molecular Dynamics and Monte Carlo, to gain insights into complex biological systems and their limitations.
Covers the fundamentals and applications of coarse-grained simulations, including advantages, challenges, single-scale simulations, brain modeling techniques, and lipid membrane coarse-graining.
Introduces state-of-the-art methods in optimization and simulation, covering topics like statistical analysis, variance reduction, and simulation projects.