MOLECULAR PROPERTIES VIRTUAL LAB

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Developing and testing new electronic structure methods for the computation of molecular properties.

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About us

The MolPro Laboratory (MPL) team includes two groups: the Quantum Chemistry Development group at the Donostia International Physics Center (DIPC) led by Drs. Matito (EM) and Ramos-Cordoba (ERC), and the group at the Institute of Computational Chemistry and Catalysis (IQCC) of the Universitat de Girona (UdG), led by Drs. Luis (JML) and Salvador (PS). MPL aims to develop new computational methods to calculate and analyze molecular properties. These methods are essential to correctly reproduce various phenomena: nonresonant linear and nonlinear optical properties, two-photon absorption spectra, IR and Raman spectra, aromaticity, and the reactivity under external electric and magnetic fields. The MPL team started in 2015 and it is mainly funded through Spanish research projects from the ‘Agencia Española de Investigación’: NLOPDFT (2015-2018), RSANLOPDFT (2018-2022), and currently AccuMolPro (2023-2026).

Get to know our group members

Collaborators: