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IV CINE CMSC Workshop
IV CINE-CMSC Workshop: Machine Learning Techniques Applied to Computational Material Science with Hands-on.The IV CINE-CMSC Workshop aims to discuss applications of machine learning techniques in the computational material science field through seminars, poster...
QTNano Mini-workshop: 20 de novembro 2019
QTNano Mini-workshop: Transition-Metal Complexes Entre os dias 18 e 22 de novembro o Grupo QTNano Juarez L. F. Da Silva, recebeu dois alunos de doutorado da Faculdade de Química na Universidade Técnica de Munique, Alemanha. Maximilian Muhr e Max Schütz, são membros...
QTNano Talks: 13 de novembro 2019
Tight Binding Modelling, Excitons and Optical Properties for 2H TMDC -- >>>>> Vem aii..... Mais um evento - QTNano Talks <<<< Apresentado pelo doutorando em Física na Universidade de Brasília, Alexandre Cavalheiro Dias ministrará o...
QTNano Talks: 11 de novembro 2019
Investigação ab initio da adsorção de álcoois sobre clusters e superfícies de metais de transição incluindo a correção de van der Waals de Grimme D3 O Grupo QTNano - Juarez L. F. Da Silva traz mais um evento pra vocês ... Raquel Costabile Bezerra é aluna de doutorado...
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment
Doi.org/10.1016/j.commatsci.2019.109160Received 12 April 2019Received in revised form 17 July 2019Accepted 20 July 2019 Abstract Van der Waals (vdW) layered materials have been receiving a great deal of attention, especially after the scotchtape experiment using...
III CINE – CMSC Workshop Hands-On
III CINE-CMSC Workshop: Fundamentals of Molecular Dynamics Simulations with Hands-on The Quantum Theory of Nanomaterials group, coordinated by Prof. Dr. rer. Nat. Juarez LF Da Silva, is always seeking knowledge, new experiences and opportunities. In this...
Division IV CINE CMSC
Division 4 – Computational Material Science and ChemistryThe CMSC division combines the expertise of young researchers located in the most prestigious institutions of São Paulo state to deliver cutting-edge solutions for for the field of new energies. The division is...
Edge, Size, and Shape Effects on WS2, WSe2, and WTe2 Nanoflake Stability: Design Principles from an Ab Initio Investigation
DOI: 10.1039/C9CP03698A (Paper) Phys. Chem. Chem. Phys., 2019, Accepted Manuscript Augusto Cesar Huppes Da Silva , Naidel A. M. S. Caturello , Rafael Besse , Matheus Paes Lima and Juarez L. F. Da Silva Received 1st July 2019 , Accepted 26th September 2019 First...
(Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature
DOI: 10.1021/acs.jpclett.8b03397 - J. Phys. Chem. Lett. 2019, 10, 685−692Diego Guedes-Sobrinho, Weiqi WangIan P. Hamilton, Juarez L. F. Da Silva, Luca M. Ghiringhelli Received: November 7, 2018 Accepted: January 25, 2019 Published: January 25, 2019 Abstract Gold...