Molecular dynamics Juan De Gracia Triviño researcher jadgt@kth.se Profile Qualifications Theoretical Chemistry (Ph.D., KTH Royal Institute of Technology) Current work conducting chemical reactivity modelling in VeloxChem working on the interoperability between GROMACS and VeloxChem exploring semi- empirical methods such as Empirical Valence Bond Theory Can help PDC users with molecular dynamics, GROMACS, VeloxChem Previous research and work postdoctoral research at Chalmers University of Technology on the implementation of quantum chemistry algorithms on quantum computers development of the VeloxChem software Mathieu Linares researcher linares@kth.se , 0700850570 Profile Qualifications Theoretical Chemistry (Ph.D., Paul Cézanne University, Marseilles) Current work advancing visualisation tools for computational chemistry, aiming to enhance PDC’s user experience and accessibility development work on the interoperability between GROMACS and VeloxChem Can help PDC users with using visualisation tools for computational chemistry, such as VIAMD Previous research and work research in the theoretical chemistry group at Linköping University development of visualisation tools for computational chemistry in the scientific visualisation group at Linköping University, Campus Norrköping
Juan De Gracia Triviño researcher jadgt@kth.se Profile Qualifications Theoretical Chemistry (Ph.D., KTH Royal Institute of Technology) Current work conducting chemical reactivity modelling in VeloxChem working on the interoperability between GROMACS and VeloxChem exploring semi- empirical methods such as Empirical Valence Bond Theory Can help PDC users with molecular dynamics, GROMACS, VeloxChem Previous research and work postdoctoral research at Chalmers University of Technology on the implementation of quantum chemistry algorithms on quantum computers development of the VeloxChem software
Mathieu Linares researcher linares@kth.se , 0700850570 Profile Qualifications Theoretical Chemistry (Ph.D., Paul Cézanne University, Marseilles) Current work advancing visualisation tools for computational chemistry, aiming to enhance PDC’s user experience and accessibility development work on the interoperability between GROMACS and VeloxChem Can help PDC users with using visualisation tools for computational chemistry, such as VIAMD Previous research and work research in the theoretical chemistry group at Linköping University development of visualisation tools for computational chemistry in the scientific visualisation group at Linköping University, Campus Norrköping
