Institute of High Performance Computing

• Directors
• Computing Science (CS)
• Electronics & Photonics (EP)
• Engineering Mechanics (EM)
• Fluid Dynamics (FD)
• Material Science & Engineering (MSE)
• IHPC Independent Investigatorship (I³)

IHPC Independent Investigatorship (I³)

Dr. Paulo Sergio BRANICIO

• Title: Scientist and IHPC Independent Investigator
• Tel: +6564191237
• Email: branicio@ihpc.a-star.edu.sg

Research Interests:

• Large scale classical molecular dynamics simulations
• Ab initio molecular dynamics simulations
• Metal and ceramics under extreme conditions
• Dynamic plasticity
• Mechanical properties of nanophase ceramics
• Scalable parallel algorithms for data mining and structure analysis
• Phase change materials

Qualifications:

• Ph.D., Physics, Federal University of Sao Carlos, Brazil, 2001
• M.S., Physics, Federal University of Sao Carlos, Brazil, 1997
• B.S., Physics, Federal University of Sao Carlos, Brazil, 1995

Published Journals/ Articles:

Publications

1. P. S. Branicio and J. Zhang, Atomistic Modeling of Shock Loading in SiC Ceramics, Materials Research Society Symposium Proceedings, 1535, 465, 2013.
2. P. S. Branicio, A. Nakano, R. K. Kalia, and P. Vashishta, Atomistic Modeling of Shock Loading in Aluminum Nitride Ceramics, International Symposium on Plasticity 2013 Proceedings, 2013.
3. P. S. Branicio, Atomistic Simulations of Mechanical Behavior in Nanocrystalline Diamond and Ceramics, International Symposium on Advanced Materials Having Multi-Degree-of-Freedom Proceedings, 2012.
4. P. S. Branicio, Atomistic mechanisms in silicon carbide nanostructures, Journal of Computational and Theoretical Nanoscience, 9, 1870, 2012.
5. Z. D. Sha, P. S. Branicio, Q. X. Pei, V. Sorkin, Y. W. Zhang, A modified Tersoff potential for pure and hydrogenated diamond-like carbon, Computational Materials Science, 67, 146, 2013.
6. P. S. Branicio, K. Bai, H. Ramanarayan, D. T. Wu, W. Song, W. Wang, M. Li, R. Zhao, L. Shi, D, J. Srolovitz, The amorphization and crystallization of Ge₂Sb₂Te₅: an ab initio molecular dynamics study, Materials Research Society Symposium Proceedings, 1431, F03-05, 2012.
7. P. S. Branicio, M.H. Jhon, D. J. Srolovitz, Engineering materials properties in codimension > 0, Journal of Materials Research, 27, 619, 2012.
8. Z. D. Sha, P. S. Branicio, V. Sorkin, Q. X. Pei, Y. W. Zhang, Effects of grain size and temperature on mechanical and failure properties of ultrananocrystalline diamond, Diamond and Related Materials, 20, 1303, 2011.
9. P. S. Branicio, M. H. Jhon, C. K. Gan, D. J. Srolovitz, Properties on the edge: graphene edge energies, edge stresses, edge warping, and the Wulff shape of graphene flakes, Modelling and Simulation in Materials Science and Engineering, 19, 054002, 2011.
10. H. Tsuzuki, P. S. Branicio, J. P. Rino, Dynamic behaviour of silicon carbide nanowires under high and extreme strain rates: a molecular dynamics study, Journal of Physics D: Applied Physics, 44, 055405, 2011.
11. P. S. Branicio, Stability of Fast Dislocations in Copper, International Symposium on Plasticity 2011 Proceedings, 2011.
12. P. S. Branicio and D. J. Srolovitz, Material Properties in Codimension > 0: Graphene Edge Properties, Materials Research Society Symposium Proceedings, 1258, R01-06, 2010.
13. P. S. Branicio, R. K. Kalia, A. Nakano, and P. Vashishta, Nanoductility induced brittle fracture in shocked high performance ceramics, Applied Physics Letters, 97, 111903, 2010.
14. P. S. Branicio and D. J. Srolovitz, Local stress calculation in simulations of multicomponents systems, Journal of Computational Physics, 228, 8467, 2009.
15. P. S. Branicio, H. Tsuzuki, J. P. Rino, Accelerating Copper Dissociated Dislocations to Transonic and Supersonic Speeds, Materials Research Society Symposium Proceedings, 1137, EE08-08-W10-08, 2009.
16. H. Tsuzuki, P. S. Branicio, J. P. Rino, Molecular dynamics simulation of fast dislocations in copper, Acta Materialia, 57, 1843, 2009.
17. P. S. Branicio, J. P. Rino, C. K. Gan, and H. Tsuzuki, Interaction potential for indium phosphide: a molecular dynamics and first-principles study of the elastic constants, generalized stacking fault and surface energies, Journal of Physics: Condensed Matter, 21, 095002, 2009.
18. H. Tsuzuki, P. S. Branicio, and J. P. Rino, Accelerating dislocations to transonic and supersonic speeds in anisotropic metals, Applied Physics Letters, 92, 191909, 2008.
19. C. Zhang, R. K. Kalia, A. Nakano, P. Vashishta, and P. S. Branicio, Deformation mechanisms and damage in alpha-alumina under hypervelocity impact loading, Journal of Applied Physics, 103, 083508, 2008.
20. P. S. Branicio, R. K. Kalia, A. Nakano, P. Vashishta, F. Shimojo, and J. P. Rino, Atomistic damage mechanisms during hypervelocity projectile impact on AlN: A large-scale parallel molecular dynamics simulation study, Journal of the Mechanics and Physics of Solids, 56, 1955, 2008.
21. H. Tsuzuki, P. S. Branicio, J. P. Rino, Structural characterization of deformed crystals by analysis of common atomic neighborhood. Computer Physics Communications, 177, 518, 2007.
22. P. S. Branicio, R. K. Kalia, A. Nakano, P. Vashishta, Shock-Induced Structural Phase Transition, Plasticity, and Brittle Cracks in Aluminum Nitride Ceramics. Physical Review Letters, 96, 065502, 2006.
23. C. Zhang, B. Bansal, P. S. Branicio, R. K. Kalia, A. Nakano, A. Sharma, P. Vashishta, Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks. Computer Physics Communications, 175, 339, 2006.
24. P. S. Branicio, J. P. Rino, and F. Shimojo, High-pressure phases of InP: An ab initio and molecular-dynamics study, Applied Physics Letters, 88, 161919, 2006.
25. R. C. Mota, P. S. Branicio, J. P. Rino, A dynamic pathway for the alkaline earth oxides B1 to B2 transformation, Europhysics Letters, 76, 836, 2006.
26. J. P. Rino, P. S. Branicio. Structural Phase Transformations in InP under Pressure: A Molecular-Dynamics Study, Physica Status Solidi B, 244, 239, 2007.
27. P. S. Branicio, J. P. Rino. Vibrational properties of InP under Pressure: A Molecular-Dynamics Study, Physica Status Solidi B, 244, 331, 2007.
28. D. F. Botelho, P. S. Branicio, J. P. Rino. Thermal conductivity in Lennard-Jones systems: A non-equilibrium molecular dynamics study - The reaching of the stationary state, Defect and Diffusion Forum, 258, 310, 2006.
29. J. P. Rino, P. S. Branicio,D. da S. Borges. Classical molecular dynamics simulation of structural and dynamical properties of II-VI and III-V semiconductors, Defect and Diffusion Forum, 258, 522, 2006.
30. H. Kikuchi, R. K. Kalia, A. Nakano, P. Vashishta, P. S. Branicio, F. Shimojo. Dynamic fracture of crystalline cubic silicon carbide (3C-SiC) via molecular dynamics simulation, Journal of Applied Physics, 98, 103524, 2005.
31. J. P. Rino, I. Ebbjo, P. S. Branicio, R. K. Kalia, A. Nakano, F. Shimojo, P. Vashishta. Short- and intermediate-range structural correlations in amorphous silicon carbide: A molecular dynamics study, Physical Review B, 70, 045207, 2004.
32. P. S. Branicio, R. K. Kalia, A. Nakano, J. P. Rino, F. Shimojo, P. Vashishta. Structural, mechanical, and vibrational properties of Ga_1-xIn_xAs alloys: A molecular dynamics study, Applied Physics Letters, 82, 1057, 2003.
33. P. S. Branicio, J. Rino, Shimojo, R. K. Kalia, P. Vashishta, A. Nakano. Molecular dynamics study of structural, mechanical, and vibrational properties of crystalline and amorphous Ga_1-xln_xAs alloys, Journal of Applied Physics, 94, 3840, 2003.
34. P. S. Branicio. Introducao a supercondutividade, suas aplicacoes e a mini-revolucao provocada pela redescoberta do MgB₂: uma abordagem didatica, Revista Brasileira de Ensino de Fisica, 23, 381, 2001.
35. P. S. Branicio, J. P. Rino, N. Studart. Melting and orientational order of the screened Wigner crystal on helium films, Physical Review B, 64, 193413, 2001.
36. P. S. Branicio, J. P. Rino. Large deformation and amorphization of Ni nanowires under uniaxial strain: A molecular dynamics study, Physical Review B, 62, 16950, 2000.
37. A. Nakano, M. E. Bachlechner, P. Branicio, T. J. Campbell, I. Ebbsjo, R. K. Kalia, A. Madhukar, S. Ogata, A. Omeltchenko, J. P. Rino, F. Shimojo, P. Walsh, P. Vashishta, Large-scale atomistic modeling of nanoelectronic structures. IEEE Transactions on Electron Devices, 47, 1804, 2000.
38. P. S. Branicio, J. P. Rino, N. Studart. Molecular-dynamics studies of charge complexes in liquid helium, Journal of Molecular Structure: THEOCHEM, 464, 87, 1999.

Recent Conferences

• Invited talk. Atomistic Modeling of Shock Loading in Aluminum Nitride Ceramics. The 19th International Symposium on Plasticity and Its Current Applications– Nassau – Bahamas, 2013.
• Invited talk. Atomistic simulations of mechanical behavior in nanocrystalline diamond and ceramics. ISAMMDoF – International Symposium on Advanced Materials Having Multi-Degrees-of-Freedom – Kumamoto – Japan, 2012.
• Contributed talk. Atomistic modeling of shock loading in SiC ceramics. MMM2012 – 6th International Conference on Multiscale Materials Modeling – Singapore, 2012.
• Contributed talk. High strain rate tensile loading of nanocrystalline silicon carbide ceramics: A molecular dynamics study. NANO2012 – XI International Conference on Nanostructured Materials – Rhodes – Greece, 2012.
• Contributed talk. The crystallization of Ge₂Sb₂Te₅ alloys: an ab initio molecular dynamics study. MRS (Materials Research Society) Spring meeting – San Francisco – USA, 2012.
• Invited talk. Mechanical properties and failure mechanisms of ultrananocrystalline carbon at high strain loads. The 18th International Symposium on Plasticity and Its Current Applications– Rio Grande – Puerto Rico, 2012.
• Participant. MRS (Materials Research Society) Fall meeting – Boston – USA, 2011.
• Contributed talk. Single dislocation induced brittle fracture mechanism in shocked silicon carbide ceramics. ICMAT 2011 – International Conference on Materials for Advanced Technologies – Singapore, 2011.
• Invited talk. Stability of fast dislocations in copper. The 17th International Symposium on Plasticity and Its Current Applications– Puerto Vallarta – Mexico, 2011.
• Contributed talk. Nanoductility induced brittle fracture in shocked high performance ceramics. MRS (Materials Research Society) Fall meeting – Boston – USA, 2010.
• Invited chairperson. Emerging Trends in Materials Simulations and Experiments – Palos Verdes – USA, 2010.
• Contributed talk. Material Properties in codimension > 0: Graphene Edge Properties. MRS (Materials Research Society) Spring meeting – San Francisco – USA, 2010.
• Invited talk. Local stress calculation in simulations of multicomponent systems. International Conference on Computational & Experimental Engineering and Sciences – Phuket – Thailand, 2009.
• Contributed talk Accelerating copper dissociated dislocations to transonic and supersonic speeds. MRS (Materials Research Society) Fall meeting – Boston – USA, 2008.

Journal Reviewer

• Physical Review Letters
• Computer Physics Communications
• Modelling and Simulation in Materials Science and Engineering
• Nanotechnology
• Physical Review B
• Journal of Applied Physics
• Physical Review E
• Journal of Physics and Chemistry of Solids
• Journal of Physics: Condensed Matter
• Journal of Physics D: Applied Physics
• Physica Status Solidi B
• Semiconductor Science and Technology
• Solid State Sciences
• Surface Coatings and Technology
• Vacuum
• Journal of Materials Research