Estimate Transport Coefficients From Short Equilibrium Molecular-Dynamic Simulation

Explore an advanced lecture on estimating transport coefficients from brief equilibrium molecular dynamics simulations. Delve into Stefano Baroni's presentation, "Separating flour from bran: how to optimally estimate transport coefficients from short equilibrium molecular-dynamics simulations," delivered at the Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop. Gain insights into cutting-edge techniques for extracting valuable information from molecular dynamics data, with potential applications in quantum mechanics and materials science. Recorded on May 6, 2022, this 48-minute talk from the Institute for Pure & Applied Mathematics (IPAM) offers a deep dive into the intersection of statistical mechanics, computational methods, and quantum systems.

Stefano Baroni - estimate transport coefficients from short equilibrium molecular-dynamic simulation