2 machine-learning "Charles University" PhD positions

PhD position/project: Multiphotochromic molecular machines

Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences | Czech | 3 months ago

(orthogonal vs. non-orthogonal). University: Faculty of Chemical Technology, UCT Prague; Faculty of Science, Charles University Group: Jiří Kaleta Group, Molecular Devices Tutor: Mgr. Jiří Kaleta, Ph.D

PhD position/project: Development of neural network force fields (NNFFs) for exploration of enzymatic chemical reactions

Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences | Czech | 3 months ago

few years have focused on the generation of machine-learning force fields for biological molecules, such as SpookyNet or AI2BMD. These offer the accuracy of quantum-chemical methods with many orders