Abstract
Multi-user high-performance computing cluster will be utilized to meet the needs of Division IV at the New Energy Innovation Center. The equipment will be installed in the Center of Informatics and Information Technology in São Carlos. (AU)
Graduated in Physics (Bachelor's Degree) from the Federal University of Goiás, Goiânia, Brazil (1991-1994). Master of Science in Solid State Physics, by the Institute of Physics, University of São Paulo, São Paulo, Brazil (1995-1997), under the supervision of Prof. Dr. José Roberto Leite. PhD in Natural Sciences (Dr. rer. nat.) from the Technical University of Berlin and the Fritz-Haber Institute of the Max-Planck Society, Berlin, Germany (1998-2002), under the guidance of Prof. Dr. Mathias Scheffler. Postdoc I at the Institute of Solid State Physics, Juelich Research Center, Juelich, Germany (2002-2004). Postdoctoral II at the Institute of Chemistry, Humboldt University of Berlin, Germany (2004-2006). Associate Researcher (postdoctoral fellow III) at the Center for Basic Science, National Renewable Energy Laboratory, Golden, Colorado, United States (2006-2009). After 11 years working abroad (8 years in Germany and 3 years in the United States), he returned to Brazil in August 2009, where he was a Young Researcher - FAPESP (postdoctoral IV) at the Institute of Physics of São Carlos, University from São Paulo, from 08/01/2009 to 05/17/2012, São Carlos, Brazil. University Professor in Full Dedication to Teaching and Research at the Institute of Chemistry of São Carlos, University of São Paulo, since 05/18/2022 -- PhD Professor (MS-3, 05/2012-07/2022), Associate Professor (MS-5, 07/2022-Present). In 2013, he obtained a level 2 CNPq productivity scholarship (Chemistry), promoted to Level 1C (Chemistry) in 2016 and to Level 1B (Chemistry) in 2020. Coordinator of several projects funded by FAPESP and CNPq, with emphasis on the program of Computational Science of Materials and Chemistry, at the Center for Innovation in New Energies (2018-2028), which is funded by FAPESP and Shell Petróleo Brasil Ltda. Works in the area of Computational Science of Materials and Chemistry using first principle methods (ab initio) based on Density Functional Theory for the study of metallic surfaces, molecular adsorption, oxides, semiconductors, clusters, nanoparticles, etc., and in the development of algorithms for global optimization of nanoparticle structure. In 2014 he founded the Quantum Theory of Nanomaterials group at the Institute of Chemistry of São Carlos. Several administrative activities have been carried out since the beginning of activities at the Institute of Chemistry of São Carlos, e.g., President of the Internationalization Commission, Member of the Graduate Commission, Representative of PhD professors in the congregation, Member of the board of the Physics-Chemistry department , etc. Since 06/2015 he is President of the Commission of Informatics of the Institute of Chemistry of São Carlos. (Source: Lattes Curriculum)
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Multi-user high-performance computing cluster will be utilized to meet the needs of Division IV at the New Energy Innovation Center. The equipment will be installed in the Center of Informatics and Information Technology in São Carlos. (AU)
Much of the energy consumed in the world is derived directly or indirectly from the burning of carbon-based fossil fuels, which is also the ran material for an extensive chain of products. The burning of carbon-based fossil fuels is directly linked with the increasing concentration of CO2 in the atmosphere, which is one the sources that contribute to the global warning along with CH4. The…
The development of new catalysts is a constant goal in catalysis, which affects the productionof an infinity number of industrialized products. Thus, there is a great interest tounderstand, predict, and tune the physical and chemical properties of catalyst compounds,which is an essencial step to design new materials that can help to improve the turn overof chemical reactions and decrease …
The development of low-cost and long-term stability catalyst compounds for the production of hydrogen from ethanol is one of the main problems to be solved for large scale use of direct ethanol fuel cells. Steam reforming, which is one of the main routes to obtain hydrogen from ethanol, as well as ethanol oxidation, are critically dependent on the choice of the catalyst system. Therefore,…
The search for renewable and green energy sources is urgent due to the climate change. Brazilhas a competitive advantage in green hydrogen production because its electricity is largelygenerated from renewable sources. Catalysts are key to realizing the water splitting reaction,and recently, transition metals dichalcogenides, MXenes, and layered double hydroxides havegained significant att…
The dependence on oil and its derivatives as a source of energy and its high market instability due to international price variation and political influence encourages society to seek new energy sources that are primarily sustainable. Electrochemical water splitting coupled with renewable energy sources is a promising technology for producing green hydrogen. The overall electrochemical pr…
This project explores novel frontiers in materials science through the application of generative algorithms, targeting efficient material discovery. The vast and largely unexplored chemical space presents challenges in accurately identifying both periodic and non-periodic systems, selecting optimal representations, and integrating databases. Leveraging state-of-the-art computational techn…
(Only some records are available in English at this moment)
Perovskites, materials with main chemical formula ABX3 where A are cations of organic molecules and/or metalic cations (e.g. Cs+), B are transition metals with 2+ oxidation state, and X are halides, attract great interest for the application in photovoltaic devices due to low synthesis costs and high power conversion energy (PCE), exceeding 25 percent. Although perovskites have been widel…
Hydroxyapatite (HAP, Ca10(PO4)6(OH)2) is one of the main inorganic components of bones and teeth that has been extensively studied and employed in biomedical applications, such as bone grafting and dental implants, due to its biocompatibility and bioactivity. The crystallographic structure of this material allows for the addition of cationic and anionic ionic substituents in their three o…
In the face of global warming, intensified by the increase in the emission of CO2 from the burning of fossil fuels, there is an urgent search for ways to mitigate the emission of carbon dioxide, since climate change can be irreversible. Thus, as a promising approach for reducing emissions of CO2 and replacing the use of fossil fuels, there is the conversion of carbon dioxide into chemical…
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The implementation of new renewable energy sources is a necessary step toward the mitigation of the CO2 emissions and the control of climate changes. However, due to the intermittent nature of these sources, it is necessary to use energy storage technologies such as supercapacitors and batteries. The low availability of lithium on Earth makes lithium batteries, the most batteries used tod…
The electroreduction of CO2 is an interesting approach to fight the CO2 accumulation in the atmosphere and its environmental consequences. The technology can be used in conjunction to clean energy sources to provide a recycling route for CO2 while storing the excess of renewable energy into value-added products. Among different challenges, the development of active and selective catalysts…
Two-dimensional materials have been intensively investigated in the past years, owing to their exceptional properties, with great potential for several applications and for the study of new phenomena. Transition metal dichalcogenides have particularly attracted great interest, mostly because of the abundance of accessible compositions, allowing a wide variety of properties. However, the n…
(Only some records are available in English at this moment)
2 / 2 | Ongoing research grants |
2 / 2 | Completed research grants |
6 / 6 | Ongoing scholarships in Brazil |
32 / 24 | Completed scholarships in Brazil |
4 / 4 | Completed scholarships abroad |
46 / 38 | All research grants and scholarships |
Associated processes |