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Mixed quantum-classical dynamics with time-dependent external fields: A time-dependent density-functional-theory approach

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Mixed quantum-classical dynamics with time-dependent external fields: A time-dependent density-functional-theory approach

Graph Chatbot

Chattez avec Graph Search

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Assessing the persistence of chalcogen bonds in solution with neural network potentials

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Influence of static correlation on the magnon dynamics of an itinerant ferromagnet with competing exchange interactions: First-principles study of MnBi

Machine-learning the electronic density of states: electronic properties without quantum mechanics

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