top of page
Posts
Search


OpenMolcas: 2023 release
We have contributed to some of the new developments included in the latest release of the OpenMolcas electronic structure package...
Jun 1, 20233 min read


Book chapter in Theoretical and Computational Photochemistry: nonlinear spectroscopies
We have contributed a book chapter reviewing different methods to model linear and nonlinear spectroscopies in molecular systems...
May 25, 20233 min read


Molecular Excited State Calculations with Adaptive Wavefunctions on a Quantum Eigensolver Emulation
An adaptive scheme is used to reduce the cost of molecular excited states and increase their feasibility in Noisy Intermediate-Scale...
Jun 1, 20212 min read
bottom of page