Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to find gradients of noisy data

Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to find gradients of noisy data. (arXiv:2305.07081v1 [physics.comp-ph]) #machinelearning #compchem https://t.co/o7Go9xgx87

[2305.07081] William Z. Van Benschoten, Laura Weiler, Gabriel J. Smith et al.: Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to ... https://t.co/WPf8dz3xjI https://t.co/MAzl31…