membro de https://brcris.ibict.br/individual/comm_ee459614-d3fc-461b-b7eb-f628e356a377 DinEMol (Dinâmica de Elétrons em Moléculas) Grupo de Pesquisa
publicações selecionadas Efeitos Termoelétricos em Sistemas Nanoscópicos Defeitos em nanofitas de Grafeno zigzag. Size and Quality of Quantum Mechanical Data Set for Training Neural Network Force Fields for Liquid Water Theoretical study of thieno[3,4-b]pyrazines derivatives with enhanced NLO response Using Neural Network Force Fields to Ascertain the Quality of Ab Initio Simulations of Liquid Water Enhanced near-Infrared Photoresponse from Nanoscale Ag-Au Alloyed Films Gate voltage enhances the thermoelectric transport of quantum dots in graphene nanoribbons Theoretical study of a recently synthesized azo dyes useful for OLEDs Efeitos Termoelétricos en Nanoestruturas