32nd edition of the XRQTC annual meeting

Last July 4th and 5th took place the 32nd edition of the XRQTC annual meeting hosted by the Universitat Autonoma de Barcelona. Twenty Eight young researcher and five internationally recognized researchers shared their methods and results with the scientific community.

Highlight topics discussed: evolution in HPC and application of ab initio methods, at a high accuracy level for big and complex systems; atomistic MD and QM/MM simulation and experimental studies to provide structural and biochemical insights into catalytic enzymes; monitoring of chemical reactivity at a microscopic level for the improvement of industrial processes involving chemical reactions; computational approaches for the exploration of free energy surfaces and the determination of transition state ensembles in enzymatic reactions; QM/MM Molecular Dynamics approach to show solvation effects at the air-water interface.



Share Now


More Posts By xrqtchemistry

Related Post