Global optimization of atomic clusters via physically constrained tensor train decomposition

Author(s): Konstantin Sozykin, Nikita Rybin, Andrei Chertkov, Anh-Huy Phan, Ivan Oseledets, Alexander Shapeev, Ivan Novikov, and Gleb RyzhakovThe global optimization of atomic clusters represents a fundamental challenge in computational chemistry and materials science due to the exponential growth o…

View Post on Scour ↗

More from link.aps.org on Scour.