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Journal of Chemical Theory and Computation|May 31, 2024
Predicting the One-Particle Density Matrix with Machine LearningS Hazra, U Patil, S SanvitoThe Journal of Chemical Physics|November 3, 2025
A charge-density machine-learning workflow for computing the infrared spectrum of moleculesS Hazra, U Patil, S SanvitoPhysical Review Letters|October 13, 2007
Efficient atomic self-interaction correction scheme for nonequilibrium quantum transportC Toher, S SanvitoJournal of Physics. Condensed Matter : an Institute of Physics Journal|January 18, 2012
Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theoryA Akande, S SanvitoJournal of Physics. Condensed Matter : an Institute of Physics Journal|December 8, 2021
Complex band structure with non-orthogonal basis set: analytical properties and implementation in the SIESTA codeE Bosoni, S SanvitoThe Journal of Chemical Physics|July 28, 2007
Exchange parameters from approximate self-interaction correction schemeA Akande, S SanvitoJournal of Physics. Condensed Matter : an Institute of Physics Journal|June 15, 2013
Tailoring highly conductive graphene nanoribbons from small polycyclic aromatic hydrocarbons: a computational studyA Bilić, S SanvitoPhysical Review Letters|September 26, 2012
Giant resistance change across the phase transition in spin-crossover moleculesN Baadji, S SanvitoPhysical Review Letters|August 27, 2011
Electric field control of valence tautomeric interconversion in cobalt dioxoleneA Droghetti, S SanvitoPhysical Review Letters|August 11, 2005
Ferromagnetism driven by intrinsic point defects in HfO(2)Chaitanya Das Pemmaraju, S SanvitoPageof 21