Recent Publications

Quantifying electron correlation effects in ethanol decomposition pathways.
Quantifying electron correlation effects in ethanol decomposition pathways.
CÂNDIDO, Ladir; HAI, Guo-Qiang.
Journal of Chemical Information and Modeling
Ab-SELDON: leveraging diversity data for an efficient automated computational pipeline for antibody design.
Ab-SELDON: leveraging diversity data for an efficient automated computational pipeline for antibody design.
SAMPAIO, Jean Vieira; COSTA, Andrielly Henriques dos Santos; ALBUQUERQUE, Aline de Oliveira; SOUZA, Júlia Silva; ALMEIDA, Diego S.; GAIETA, Eduardo Menezes; ALMEIDA, Matheus do Vale; SARTORI, Geraldo Rodrigues; SILVA, João Hermínio Martins da.
Journal of Chemical Information and Modeling
Tracking adiabaticity in nonequilibrium many-body systems using x-ray photoemission from metals as a stringent test.
Tracking adiabaticity in nonequilibrium many-body systems using x-ray photoemission from metals as a stringent test.
SILVA, Gustavo Diniz; PÍCOLI, Felipe Donizete; OLIVEIRA, Luiz Nunes de; D'AMICO, Irene.
Physical Review A
The crystal structure of 2-(3-nitrophenyl)-1H-benzimidazole monohydrate revisited.
The crystal structure of 2-(3-nitrophenyl)-1H-benzimidazole monohydrate revisited.
CABALLERO, Daimí González; SÁNCHEZ, Mayra P. Hernández; ELLENA, Javier; SANTIAGO, Pedro Henrique de Oliveira; RODRÍGUEZ, Estael Ochoa; RODRÍGUEZ, Julio Duque; QUEVEDO, Armando A. Paneque.
Acta Crystallographica E
Predicting fs-laser-induced NV centers with PCA and neural networks.
Predicting fs-laser-induced NV centers with PCA and neural networks.
SARAIVA, Murilo Neco; OSPINA, Orlando David Marbello; NOLASCO, Lucas Konaka; CUNHA, Renan Souza; ANDRADE, Lucas Nunes Sales de; MUNIZ, Sérgio Ricardo; MENDONÇA, Cleber Renato.
Optical Materials
Femtosecond laser microfabrication of Ti3C2Tx MXene for micro-supercapacitor electrodes.
Femtosecond laser microfabrication of Ti3C2Tx MXene for micro-supercapacitor electrodes.
PAULA, Kelly Tasso de; FACURE, Murilo Henrique Moreira; ANDRADE, Marcelo Barbosa de; CORRÊA, Daniel Souza; MENDONÇA, Cleber Renato.
ACS Omega
Optimal complexity of parameterized quantum circuits.
Optimal complexity of parameterized quantum circuits.
CORRER, Guilherme Ilário; FERREIRA, Pedro Coutinho Azado; PINTO, Diogo de Oliveira Soares; CARLO, Gabriel Gustavo.
Entropy
Overcoming structural complexity in Galectin-3BP through an integrative computational antibody design workflow.
Overcoming structural complexity in Galectin-3BP through an integrative computational antibody design workflow.
COSTA, Andrielly Henriques dos Santos; GAIETA, Eduardo Menezes; ALBUQUERQUE, Aline de Oliveira; SOUZA, Júlia Silva; ALMEIDA, Diego S.; SAMPAIO, Jean Vieira; Patrick England; SARTORI, Geraldo Rodrigues; SILVA, João Hermínio Martins da.
Computers in Biology and Medicine
A novel progesterone product obtained by biooxidation from marine-derivated fungus penicillium oxalicum CBMAI 1996.
A novel progesterone product obtained by biooxidation from marine-derivated fungus penicillium oxalicum CBMAI 1996.
VASCONCELOS, Ligia Breda e; PAULA, Samuel Filipe Cardoso de; SANTIAGO, Pedro Henrique de Oliveira; ELLENA, Javier; PORTO, Andre Luiz Meleiro.
Tetrahedron
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