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CECC - Centro de Engenharia e Ciências Computacionais

Processo: 13/08293-7
Modalidade de apoio:Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
Vigência: 01 de junho de 2013 - 31 de maio de 2026
Área do conhecimento:Interdisciplinar - Química - Físico-química
Pesquisador responsável:Munir Salomao Skaf
Beneficiário:Munir Salomao Skaf
Instituição Sede: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brasil
Pesquisadores principais:
Claudia Maria Bauzer Medeiros ; Douglas Soares Galvão ; Edson Borin ; Euclides de Mesquita Neto ; Guido Costa Souza de Araújo ; Leandro Martinez ; Martin Tygel ; Paulo Sollero ; Renato Pavanello ; Rodolfo Jardim de Azevedo ; William Roberto Wolf
Pesquisadores associados:Alex Antonelli ; Daniel Laria ; Dario Estrin ; Gonçalo Amarante Guimarães Pereira ; Guilherme Pimentel Telles ; Julio Cesar dos Reis ; Marcelo Falsarella Carazzolle ; Martin Schanz ; Maurice de Koning ; Nelson Henrique Morgon ; Peter Jacob Rossky ; Rogério Custodio ; Sandra Eliza Fontes de Avila ; Vera Nisaka Solferini ; Victor Salvador Batista ; Zanoni Dias
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Assunto(s):Modelagem molecular  Biologia computacional  Biofísica  Geofísica  e-Science 
Palavra(s)-Chave do Pesquisador:Biofísico-química computacional | bioinformática | Engenharia mecânica computacional | e-science | Geofisica Computacional | Modelagem molecular | computação intensiva em engenharia e ciências moleculares
Publicação FAPESP:https://media.fapesp.br/bv/uploads/pdfs/Multidisciplinary_science_RWosAEh_32_33.pdf

Resumo

Propõe-se a criação de um centro multidisciplinar de alto nível, dedicado ao desenvolvimento e aplicação de métodos computacionais avançados e que venha solucionar problemas de fronteira nas ciências e engenharias, bem como promover avanços substantivos em inovação tecnológica e difusão desta área do conhecimento, a qual tem sido denominada e-Science. O "Centro de Engenharia e Ciências Computacionais" (CECC) deverá ser sediado na Universidade Estadual de Campinas em prédio próprio, que inclui um auditório para 160 pessoas, salas, e ambientes adequados para abrigar equipamentos computacionais, a ser construído com recursos provenientes de um projeto recém-aprovado na chamada CT-Infra da FINEP, complementados por recursos da Universidade, totalizando R$ 6.634.400,00. O Centro congrega pesquisadores de elevado nível científico dos Institutos de Biologia, Computação, Física, Matemática, Química e Engenharia Mecânica da Unicamp, e tem a modelagem computacional de alto desempenho como agente unificador de sua temática e foco científico. A proposta conta também com a participação de cinco pesquisadores de renome das Universidades do Texas e Yale, nos Estados Unidos, Universidade de Graz, na Áustria, e da Universidade de Buenos Aires, Argentina. O Centro constituirá um ambiente unificado de excelência, pioneiro no Brasil, visando multiplicar as competências atuais na área de simulação e modelagem computacional e a promoção efetiva da interação entre seus integrantes para a solução de novos desafios científicos em temas como nanomateriais, sistemas biomoleculares de interesse à saúde humana e bioenergia, bioinformática, sistemas particulados e semi-particulados, meios porosos, meios contínuos, e geofísica computacional, pelos quais permeia o desenvolvimento de técnicas avançadas de processamento paralelo e arquiteturas multi-core. O Centro deverá atuar estimulando e criando condições para a interação com setores produtivos. a geração de inovação e a difusão do conhecimento através de seus núcleos de Transferência e Inovação Tecnológica e de Difusão e Educação. (AU)

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Publicações científicas (584)
(Referências obtidas automaticamente do Web of Science e do SciELO, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores)
DE SOUSA, J. M.; BRUNETTO, G.; COLUCI, V. R.; GALVAO, D. S.. Torsional ``superplasticity{''} of graphyne nanotubes. Carbon, v. 96, p. 14-19, . (13/08293-7)
BAUDET, CHRISTIAN; DIAS, ULISSES; DIAS, ZANONI. Sorting by weighted inversions considering length and symmetry. BMC Bioinformatics, v. 16, n. 19, . (13/08293-7, 14/19401-8, 12/01584-3)
JAQUES, YGOR M.; GALVAO, DOUGLAS S.. Permeation of Water Nanodroplets on Carbon Nanotubes Forests. MRS ADVANCES, v. 2, n. 2, p. 123-128, . (13/08293-7)
OIKAWA, MARINA A.; DIAS, ZANONI; ROCHA, ANDERSON; GOLDENSTEIN, SIOME. Distances in multimedia phylogeny. International Transactions in Operational Research, v. 23, n. 5, SI, p. 921-946, . (14/19401-8, 14/03535-5, 13/08293-7)
ROUT, ARPAN; PANDEY, PRAFULL; OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; GUMASTE, ANURAG; SINGH, AMIT; GALVAO, DOUGLAS SOARES; ARORA, AMIT; TIWARY, CHANDRA SEKHAR. Atomically locked interfaces of metal (Aluminum) and polymer (Polypropylene) using mechanical friction. Polymer, v. 169, n. SI, p. 148-153, . (13/08293-7, 16/18499-0)
ROMANINI, E.; LABAKI, J.; MESQUITA, E.; SILVA, R. C.. Stationary Dynamic Stress Solutions for a Rectangular Load Applied within a 3D Viscoelastic Isotropic Full-Space. MATHEMATICAL PROBLEMS IN ENGINEERING, . (13/08293-7, 17/01450-0)
DE SOUSA, J. M.; WOELLNER, C. F.; MACHADO, L. D.; AUTRETO, P. A. S.; GALVAO, D. S.. Carbon Nanotube Peapods Under High-Strain Rate Conditions: A Molecular Dynamics Investigation. MRS ADVANCES, v. 5, n. 33-34, SI, p. 1723-1730, . (13/08293-7)
DE SOUSA, J. M.; BOTARI, T.; PERIM, E.; BIZAO, R. A.; GALVAO, DOUGLAS S.. Mechanical and structural properties of graphene-like carbon nitride sheets. RSC ADVANCES, v. 6, n. 80, p. 76915-76921, . (13/08293-7)
MARTINEZ, LEANDRO. MEASURING THE CONDUCTIVITY OF VERY DILUTE ELECTROLYTE SOLUTIONS, DROP BY DROP. Química Nova, v. 41, n. 7, p. 814-817, . (13/05475-7, 10/16947-9, 13/08293-7)
LUCCA TOSI, MAURO DALLE; DOS REIS, JULIO CESAR. nderstanding the evolution of a scientific field by clustering and visualizing knowledge graph. JOURNAL OF INFORMATION SCIENCE, v. 48, n. 1, . (17/02325-5, 13/08293-7)
SIQUEIRA, TAYANE HONORATO; MARTINEZ, LEANDRO. Molecular simulations of fluconazole-mediated inhibition of sterol biosynthesis. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, . (10/16947-9, 13/08293-7)
MARTINS DO ROSARIO, VANDERSON; FAUSTINO DA SILVA, ANDERSON; APARECIDA SILVA CAMACHO, THAIS; NAPOLI, OTAVIO O.; BRETERNITZ, MAURICIO; BORIN, EDSON. Smart selection of optimizations in dynamic compilers. CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE, . (13/08293-7)
MOREIRA, FARNEY COUTINHO; WOLF, WILLIAM ROBERTO; AZEVEDO, JOAO LUIZ F.. Thermal analysis of hypersonic flows of carbon dioxide and air in thermodynamic non-equilibrium. INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, v. 165, n. A, . (13/07375-0, 13/08293-7)
GALVIS, ANDRES F.; PRADA, DANIEL M.; MOURA, LUCAS S.; ZAVAGLIA, CECILIA; FOSTER, JAMIE M.; SOLLERO, PAULO; WROBEL, LUIZ C.. ESLE: Boundary element software for 3D linear elasticit. COMPUTER PHYSICS COMMUNICATIONS, v. 265, . (13/08293-7)
OLIVEIRA, ELIEZER FERNANDO; BATAGIN-NETO, AUGUSTO; GALVAO, DOUGLAS SOARES. On the sulfur doping of gamma-graphdiyne: A Molecular Dynamics and DFT study. MRS ADVANCES, v. 5, n. 52-53, SI, p. 2701-2706, . (19/07157-9, 13/08293-7, 16/18499-0)
LASCANE, LEONARDO GOIS; OLIVEIRA, ELIEZER FERNANDO; BATAGIN-NETO, AUGUSTO. Polyfuran-based chemical sensors: reactivity analysis via Fukui indexes and reactive molecular dynamics. MRS ADVANCES, v. 5, n. 10, SI, p. 497-503, . (16/18499-0, 13/08293-7, 16/11358-1, 19/07157-9)
SILVEIRA, RODRIGO L.; STOYANOV, STANISLAV R.; KOVALENKO, ANDRIY; SKAF, MUNIR S.. Cellulose Aggregation under Hydrothermal Pretreatment Conditions. Biomacromolecules, v. 17, n. 8, p. 2582-2590, . (13/08293-7, 14/10448-1)
BUSSE-WICHER, MARTA; LI, AN; SILVEIRA, RODRIGO L.; PEREIRA, CAROLINE S.; TRYFONA, THEODORA; GOMES, THIAGO C. F.; SKAF, MUNIR S.; DUPREE, PAUL. Evolution of Xylan Substitution Patterns in Gymnosperms and Angiosperms: Implications for Xylan Interaction with Cellulose. Plant Physiology, v. 171, n. 4, p. 2418-2431, . (13/08293-7, 14/10448-1, 15/25031-1)
CALZADO, FELIPE; PRATES, ERICA T.; GONCALVES, THIAGO A.; RUBIO, MARCELO V.; ZUBIETA, MARIANE P.; SQUINA, FABIO M.; SKAF, MUNIR S.; DAMASIO, ANDRE R. L.. Molecular basis of substrate recognition and specificity revealed in family 12 glycoside hydrolases. Biotechnology and Bioengineering, v. 113, n. 12, p. 2577-2586, . (13/08293-7, 14/06923-6, 12/20549-4, 13/24988-5, 14/23051-2)
KOIZUMI, RYOTA; HART, AMELIA H. C.; BRUNETTO, GUSTAVO; BHOWMICK, SANJIT; OWUOR, PETER S.; HAMEL, JOHN T.; GENTLES, ANIEPH X.; OZDEN, SEHMUS; LOU, JUN; VAJTAI, ROBERT; et al. Mechano-chemical stabilization of three-dimensional carbon nanotube aggregates. Carbon, v. 110, p. 27-33, . (13/08293-7)
BORDA, EDGAR JOSUE LANDINEZ; CAI, WEI; DE KONING, MAURICE. Dislocation Structure and Mobility in hcp He-4. Physical Review Letters, v. 117, n. 4, . (13/08293-7)
SUSARLA, SANDHYA; MANIMUNDA, PRAVEENA; JAQUES, YGOR MORAIS; HACHTEL, JORDAN A.; IDROBO, JUAN CARLOS; AMNULLA, SYED ASIF SYED; GALVAO, DOUGLAS SOARES; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M.. Deformation Mechanisms of Vertically Stacked WS2/MoS2 Heterostructures: The Role of Interfaces. ACS NANO, v. 12, n. 4, p. 4036-4044, . (13/08293-7, 16/12341-5)
ZINK, S.; MOURA, F. A.; ALVES DA SILVA AUTRETO, P.; GALVAO, D. S.; MIZAIKOFF, B.. Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations. Physical Chemistry Chemical Physics, v. 20, n. 19, p. 13153-13158, . (13/08293-7)
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LEITE, RODOLFO PAULA; FREITAS, RODRIGO; AZEVEDO, RODOLFO; DE KONING, MAURICE. The Uhlenbeck-Ford model: Exact virial coefficients and application as a reference system in fluid-phase free-energy calculations. Journal of Chemical Physics, v. 145, n. 19, . (13/08293-7)
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COSTA, FILIPE DE O.; OIKAWA, MARINA A.; DIAS, ZANONI; GOLDENSTEIN, SIOME; ROCHA, ANDERSON DE REZENDE. Image Phylogeny Forests Reconstruction. IEEE Transactions on Information Forensics and Security, v. 9, n. 10, p. 1533-1546, . (13/08293-7, 10/05647-4)
SILVA, MARCOS V. D.; CUSTODIO, ROGERIO; MIRANDA REIS, MIRIA HESPANHOL. Determination of Enthalpies of Formation of Fatty Acids and Esters by Density Functional Theory Calculations with an Empirical Correction. Industrial & Engineering Chemistry Research, v. 54, n. 39, p. 9545-9549, . (13/08293-7)
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