Atomistic methods applied to the study of structural and electronic properties of ...
Assessment of conformational preferences on fluorine-containing molecules and stud...
Molecular dynamics of ionic liquids: studies of time-domain ultra-fast spectroscopies
Simulating electronic transport using QM/MM and adaptive Monte Carlo methods: appl...
Spectroscopy signal enhancement: nanomaterials, theory, and computer simulation
Theoretical studies of electronic and structural properties of molecules, effects ...