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José Maximiano Fernandes Pinheiro Junior. Concluiu o(a) Doctor em Ciências - Física em 2014/06/02 pelo(a) Universidade de São Paulo Instituto de Física, Master em Física em 2009/03/27 pelo(a) Universidade Federal de Pernambuco Departamento de Física e Bachelor em Física em 2006/12/15 pelo(a) Universidade Federal de Pernambuco Centro de Ciências Exatas e da Natureza. Publicou 8 artigos em revistas especializadas. Atua na(s) área(s) de Ciências Exatas com ênfase em Física da Matéria Condensada. Nas suas atividades profissionais interagiu com 18 colaborador(es) em coautorias de trabalhos científicos.
Identification

Personal identification

Full name
José Maximiano Fernandes Pinheiro Junior

Citation names

  • Pinheiro Jr, Max

Author identifiers

Ciência ID
721D-DACE-B8BE
ORCID iD
0000-0002-5120-4172
Researcher Id
G-6600-2018

Email addresses

  • maxjr82@gmail.com (Personal)

Telephones

Mobile phone
  • (+55) 1196323113 (Personal)

Addresses

  • Avenida do Café, 54, apt 01, 04311-000, Vila Guarani, São Paulo, Brazil (Personal)

Knowledge fields

  • Exact Sciences - Physical Sciences - Condensed Matter Physics
  • Exact Sciences - Physical Sciences - Molecular Physics
  • Exact Sciences - Chemical Sciences - Physical Chemistry

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese (Mother tongue)
Spanish; Castilian Advanced (C1) Upper intermediate (B2) Upper intermediate (B2) Advanced (C1)
English Advanced (C1) Advanced (C1) Proficiency (C2) Advanced (C1) Advanced (C1)
Education
Degree Classification
2015/09/14 - 2018/10/29
Concluded
 Defects in graphene nanoflakes: structure, stability, electronic and magnetic properties (Pós-doutoramento)
Major in Theoretical Physical-Chemistry
Instituto Tecnológico de Aeronáutica, Brazil
2014/06/01 - 2014/11/30
Concluded
 Theoretical study of organic interfaces of relevance for electronic nanodevices (Pós-doutoramento)
Major in Condensed Matter Physics - Theory
Universidade de São Paulo Instituto de Física, Brazil
2009/03/02 - 2014/06/02
Concluded
 Ciências - Física (Doctor)
Major in Física da Matéria Condensada - Teoria
Universidade de São Paulo Instituto de Física, Brazil
"Propriedades Eletrônicas de Sistemas Conjugados: A Importância da Troca Exata" (THESIS/DISSERTATION)
2007/03/05 - 2009/03/27
Concluded
 Física (Master)
Major in Teoria de Estrutura Eletrônica
Universidade Federal de Pernambuco Departamento de Física, Brazil
"Espectroscopia eletrônica e solvatação de cromóforos zwiteriônicos: um estudo ab initio" (THESIS/DISSERTATION)
2002/07/01 - 2006/12/15
Concluded
 Física (Bachelor)
Major in Física Atômica e Molecular - Teoria
Universidade Federal de Pernambuco Centro de Ciências Exatas e da Natureza, Brazil
Affiliation

Teaching in Higher Education

Category
Host institution 		Employer
2013/04/02 - 2015/12/28 Associate Professor (University Teacher) Faculdades Metropolitanas Unidas Educacionais Ltda, Brazil
Projects

Grant

Designation Funders
2015/09/14 - 2018/10/29 Defects in graphene nanoflakes: structure, stability, electronic and magnetic properties
88882.161963/2014- 01
Post-doc Fellow
Instituto Tecnológico de Aeronáutica, Brazil
 Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
Concluded
Outputs

Publications

Conference poster
  1. Cunha, L. A.; Pinheiro, Max; Ferrao, L. F. A.. "Efficient molecular design of nanoporous mebranes: The role of intermolecular interactions". 2017.
  2. Max Pinheiro, Jr.; Hans Lischka. "Nitrogen doping strategies for modulating the biradicaloid nature of acenes: insights from multireference calculations". Paper presented in 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, 2017.
  3. Max Pinheiro, Jr.; Francisco Machado; Hans Lischka. "Tunable electronic and radical nature of oligoacenes upon chemical doping: a multireference study". Paper presented in Theory and Applications of Computational Chemistry (TACC), 2016.
  4. Max Pinheiro, Jr.; Rinke, P.; Scheffler, M.. "Ionization potential and fundamental gap of organic semiconductors: a many-body based approach". Paper presented in Proceedings of Brazilian Workshop on Semiconductor Physics, 2013.
  5. Max Pinheiro, Jr.; Caldas, M. J. "DFT study of the electronic structure of polymer-on-metal interfaces". Paper presented in XII Brazilian Materials Research Society meeting, 2013.
  6. José Maximiano F. Pinheiro Junior; Marilia J. Caldas; Xinguo Ren; Patrick Rinke; Volker Blum; Matthias Scheffler. "Electronic structure of alternating fluorene copolymers and their model compounds". Paper presented in International Conference of Organic Electronics - ICOE, 2011.
  7. Junior, José. "Theoretical studies of electronic properties of the fluorene-based copolymers and their model compounds". Paper presented in X Brazilian Materials Research Society meeting, 2011.
  8. Max Pinheiro, Jr.; M., Caldas; Rinke, P.; Scheffler, M. "Theoretical study of the electronic properties of fluorene co-oligomers". Paper presented in Density functional theory and beyond with numeric atom-centered orbitals – FHI-aims developers and users meeting, 2010.
Journal article
  1. Gabriel F.S. Fernandes; Max Pinheiro Júnior; Francisco B. C. Machado; Luiz F. A. Ferrão. "Stability and Reactivity of Silicon Magic Numbers Doped with Aluminum and Phosphorus Atoms". The Journal of Physical Chemistry A (2019): https://doi.org/10.1021/acs.jpca.8b10214.
    10.1021/acs.jpca.8b10214
  2. Junior, José. "The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory". Molecular Physics 0 0 (2019): 1-13. https://doi.org/10.1080/00268976.2019.1567848.
    10.1080/00268976.2019.1567848
  3. Max Pinheiro, Jr.; Anita Das; Adelia J. A. Aquino; Hans Lischka; Francisco B. C. Machado. "Interplay between Aromaticity and Radicaloid Character in Nitrogen-Doped Oligoacenes Revealed by High-Level Multireference Methods". The Journal of Physical Chemistry A (2018): https://doi.org/10.1021/acs.jpca.8b09046.
    10.1021/acs.jpca.8b09046
  4. Anita Das; Max Pinheiro, Jr.; Francisco B. C. Machado; Adélia J. A. Aquino; Hans Lischka. "Tuning the Biradicaloid Nature of Polycyclic Aromatic Hydrocarbons: The Effect of Graphitic Nitrogen Doping in Zethrenes". ChemPhysChem 19 19 (2018): 2492-2499. https://doi.org/10.1002/cphc.201800650.
    10.1002/cphc.201800650
  5. Junior, José. "On the importance of non-covalent interactions for porous membranes: unraveling the role of pore size". Phys. Chem. Chem. Phys. 20 (2018): 20124-20131. http://dx.doi.org/10.1039/C8CP03286F.
    10.1039/C8CP03286F
  6. Max Pinheiro; Luiz F. A. Ferrão; Fernanda Bettanin; Adélia J. A. Aquino; Francisco B. C. Machado; Hans Lischka. "How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen". Physical Chemistry Chemical Physics 19 29 (2017): 19225-19233. https://doi.org/10.1039/C7CP03198J.
    10.1039/C7CP03198J
  7. Junior, José. "Singlet La and Lb Bands for N-Acenes (N = 2–7): A CASSCF/CASPT2 Study". Journal of Chemical Theory and Computation 13 9 (2017): 4297-4306. https://doi.org/10.1021/acs.jctc.7b00302.
    10.1021/acs.jctc.7b00302
  8. Max Pinheiro; Marilia J. Caldas; Patrick Rinke; Volker Blum; Matthias Scheffler. "Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/GWapproach". Physical Review B 92 19 (2015): https://doi.org/10.1103%2Fphysrevb.92.195134.
    10.1103/physrevb.92.195134
  9. Junior, José. "Ab Initio Study of the Anomalous Solvatochromic Behavior of Large Betaines". The Journal of Physical Chemistry A 115 27 (2011): 7994-8002. https://doi.org/10.1021/jp112417m.
    10.1021/jp112417m
  10. José Maximiano F. Pinheiro; Paulo H.R. Peixoto; Celso P. de Melo. "Inverse photoinduced electron transfer in large betaine molecules". Chemical Physics Letters 463 1-3 (2008): 172-177. https://doi.org/10.1016%2Fj.cplett.2008.07.074.
    10.1016/j.cplett.2008.07.074
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2017/12/13 Electron Donor/Acceptor doping of acenes: tuning the radicaloid character and excitation properties III Escola de Química Computacional - (EQC 2017)
Universidade de São Paulo - USP (Ribeirão Preto - SP, Brazil)
2017/11/14 Tuning the electronic and excitation properties of oligoacenes via chemical doping: insights from a multireference study XIX Simpósio Brasileiro de Química Teórica (SBQT 2017)
Universidade de São Paulo - USP (Águas de Lindóia - SP, Brazil)
2016/09/20 Tuning the electronic and excitation properties of oligoacenes via chemical doping: insights from a multireference study Simpósio de Estrutura Eletrônica e Dinâmica Molecular (SEEDMOL)
Universidade de Brasília - UnB (Alto Paraíso - GO, Brazil)
2015/05/20 Nanotechnology and its applications in engineering Inovação em Engenharia - Tecnologia Projetos e Pesquisas (INOVAE)
Faculdades Metropolitanas Unidas - FMU (São Paulo, Brazil)
2014/09/30 Predicting Injection Barriers For Organic/Organic Interfaces From Density Functional Theory XIII Brazilian MRS Meeting - SBPMat
Sociedade Brasileira de Pesquisa em Materiais (João Pessoa - PB, Brazil)

Supervision

Thesis Title
Role 		Degree Subject (Type)
Institution / Organization
2017/08/01 - Current Influence of cyclobutadiene linkages in n-acenos: excited states and radical nature
Supervisor
 Engenharia da Computação (Scientific initiation)
Instituto Tecnológico de Aeronáutica, Brazil
2016/08/08 - 2018/06/20 Intermolecular Interactions in Molecular Models of Porous Graphene: Insights on Permeability and Selectivity
Co-supervisor
 Física (Master)
Instituto Tecnológico de Aeronáutica, Brazil

Event participation

Activity description
Type of event 		Event name
Institution / Organization
2017/07/31 - 2017/08/11 In the Hands-On Summer School Density-Functional Theory and Beyond, I participated in 31 lecture (1 hour each) devoted to introduce basic concepts and recent advances of electronic-structure theory. Also, I participated as tutor in 9 practical sessions (4 hours each) by guiding and helping students in the application of the FHI-aims all-electron code to explore several problems related to fundamentals and advanced concepts in Electronic-Structure Theory.
Workshop
 Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science
Humboldt-Universität zu Berlin, Germany
2016/10/10 - 2016/10/14 This workshop provided an introductory quantum chemistry course focused on Multireference Methods and their application to energy surface, excited states and ab initio dynamics simulations. I participated as tutor in the practical computational sessions designed to apply the fundamental concepts of multireference theory by performing basic calculations with the COLUMBUS program system.
Workshop
 Columbus in China: An Advanced Workshop on Multireference Methods in Quantum Chemistry
Platform of Health Science of Tianjin University, China

Jury of academic degree

Topic
Role 		Candidate name (Type of degree)
Institution / Organization
2018/06/20 Intermolecular Interactions in Molecular Models of Porous Graphene: Insights on Permeability and Selectivity
Supervisor
 Leonardo dos Anjos Cunha (Master)
Instituto Tecnológico de Aeronáutica, Brazil

Journal scientific committee

Journal title (ISSN) Publisher
2019/01/22 - Current Computational Materials Science (0927-0256) ELSEVIER