News

	01/10/2024 - New group member: Isabel Eder Isabel Eder is joining our group to perform her PhD project. Her main research topic will be the simulations of electric field effects on the photodynamics of rhodopsins. Welcome to our group, Isabel!
	29/05/2024 - Article Accepted! Our article on the control of the photochemistry of iron tris-bipyridine by external electromagnetic fields has been accepted in ChemPhysChem! We show that vibrational pump / UV pump can trap the population in the MLCT band. Great job by Marc Alías-Rodríguez. DOI: 10.1002/cphc.202400471
	24/02/2024 - Article Accepted! Our article on the analytic gradients for a QM/MM model in periodic boundary conditions has been accepted in J. Chem. Theor. Comput.! The equations are implemented in a GAMESS-US/Tinker8 interface that will be made available in the future. We computed free energy profiles for the torsion of proline giving excellent results. Great job by Simone Bonfrate. DOI: 10.1021/acs.jctc.4c00201