Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry

Publication date: 15 November 2023Source: Journal of Computational Physics, Volume 493Author(s): Siwar Badreddine, Igor Chollet, Laura Grigori Continue reading Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry

Optimal explicit stabilized postprocessed <em>τ</em>-leap method for the simulation of chemical kinetics

Publication date: 15 November 2023Source: Journal of Computational Physics, Volume 493Author(s): Assyr Abdulle, Lia Gander, Giacomo Rosilho de Souza Continue reading Optimal explicit stabilized postprocessed <em>τ</em>-leap method for the simulation of chemical kinetics

JAX-DIPS: Neural bootstrapping of finite discretization methods and application to elliptic problems with discontinuities

Publication date: 15 November 2023Source: Journal of Computational Physics, Volume 493Author(s): Pouria A. Mistani, Samira Pakravan, Rajesh Ilango, Frederic Gibou Continue reading JAX-DIPS: Neural bootstrapping of finite discretization methods and application to elliptic problems with discontinuities

An immersed peridynamics model of fluid-structure interaction accounting for material damage and failure

Publication date: 15 November 2023Source: Journal of Computational Physics, Volume 493Author(s): Keon Ho Kim, Amneet P.S. Bhalla, Boyce E. Griffith Continue reading An immersed peridynamics model of fluid-structure interaction accounting for material damage and failure