Methods and Software Newton-X 26 for excited-state dynamics Newton-X 26, a platform for mixed quantum–classical simulations of molecular excited states. (more…)By Mario Barbatti, 3 weeks ago
Methods and Software Legion: A New Platform for Gaussian Wavepacket Dynamics A new software for multiple spawning in the Newton-X framework. (more…)By Mario Barbatti, 1 year ago
Methods and Software QDCT: A New Strategy for Nonadiabatic Molecular Dynamics QDCT seamlessly enhances surface hopping accuracy without adding computational cost. (more…)By Mario Barbatti, 2 yearsSeptember 5, 2024 ago
