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Professor Carmen Domene

Computational Chemistry

University of Bath



Carmen Domene Núñez is a Professor at the University of Bath, UK. Her research group applies principles from quantum mechanics and statistical thermodynamics to model molecular phenomena with computer simulations. They use a range of techniques, from ab initio electronic structure calculations, all-atom and coarse-grained classical molecular dynamics, Car-Parrinello and Born-Oppenheimer ab initio molecular dynamics simulations to free energy and enhanced sampling techniques such as umbrella sampling, metadynamics, adaptive biasing force. They collaborate with experimental researchers from several fields to help interpret experimental results and gain understanding from a microscopic perspective. Her research interests include computer simulations and modelling, biophysics, membrane proteins, lipids and enzymes.