Abstract
Nowadays, computer simulations are much more than a simple auxiliary tool in Physics and have become a new and independent form of investigation and understanding of physical phenomena. We formed a group of experienced researchers, Prof. Maurice de Koning, Prof. Edison Zacarias da Silva, Prof. Alex Antonelli, of the Instituto de Física Gleb Wataghin of Unicamp, and Prof. Miguel San Miguel of the Instituto de Química of UNICAMP, who have been working actively in the use of computer simulations for the study of structural, electronic, dynamic and thermodynamic properties of complex and nanostructured materials. In our research we use various techniques that are the state of the art for these studies, from formulations of first principles that are based on the Density Functional Theory (DFT), as well as molecular dynamics and also classical and quantum Monte Carlo methods. All these methods require increasing computational capacity. In the last 5 years, our research has been carried out using the computational cluster acquired through previous aid obtained from FAPESP, mainly the thematic project (Process No. 2010/16970-0), which we obtained in April 2011. This equipment is already outdated and several of its components are presenting faults that in the near future will represent a serious reduction of the computational power of the equipment, since several of these components are no longer manufactured and cannot be replaced. The main goal of this project is to acquire new computational cluster so that we can continue our research within a high level of international competitiveness. In addition, this request includes the replacement of personal computers, which are essential for the analysis of the results of computer simulations, as well as the dissemination of our results through scientific articles and participation in scientific conferences. (AU)
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Global exploration of phase behavior in frustrated Ising models using unsupervised learning techniques
. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, v. 589, p. 13-pg., 2022-03-01. (16/23891-6, 18/19586-9, 13/08293-7)COMPOSTO BASEADO EM ÍONS DE PRATA E NANOPARTÍCULAS DE PRATA COM ALTA ATIVIDADE ANTIMICROBIANA E MÉTODO PARA SUA OBTENÇÃO BR1020190154730 - Universidade Estadual de Campinas (UNICAMP) ; Universidade Federal de São Carlos (UFSCAR) ; Universitat Jaume I (Espanha) . Elson Longo / NADIA GUERRA MACEDO / THALES RAFAEL MACHADO / ROMÁN ALVAREZ ROCA / MARCELO DE ASSIS / CAMILA CRISTINA DE FOGGI / ANDRÉ RODRIGUES PINHEIRO / MIGUEL ANGEL SAN MIGUEL / JUAN MANUEL ANDRÉS BORT / ELOISA CORDONCILLO CORDONCILLO / HECTOR BELTRAN MIR / GLADYS MÍNGUEZ VEGA / VERÓNICA PUERTO BELDA - July 2019, 26
COMPÓSITOS DE POLIOLEFINAS E SEMICONDUTORES À BASE DE PRATA COM ALTA ATIVIDADE BIOCIDA BR1020210212632 - Fundação Universidade Federal de São Carlos (UFSCar) ; Universidade Estadual Paulista Júlio de Mesquita Filho (Unesp) ; Universitat Jaume I (Espanha) . LARA KELLY RIBEIRO DA SILVA (UFSCar) ; LAIS RONCALHO LIMA (UFSCar) ; MARCELO DE ASSIS (UFSCar) ; MARIANA OTTAIANO GONÇALVES (UFSCar) ; CRISTINA PAIVA DE SOUSA (UFSCar) ; DYOVANI COELHO (UFSCar) ; LUCIA HELENA MASCARO (UFSCar) ; ELSON LONGO DA SILVA (UFSCar) ; JUAN MANOEL ANDRÉS BORT (Jaime I) ; IEDA LUCIA VIANA ROSA (UFSCar) ; ROBERT DA SILVA PAIVA (UFSCar) ; SANDRA ANDREA CRUZ (UFSCar) ; LEONARDO NAZARIO DE MORAES (UNESP) ; LUANA FOGAÇA DE ALMEIDA (UNESP) e REJANE MARIA TOMMASINI GROTTO (UNESP). - October 2021, 22