Nació en Vila-real en 1956. Se licenció en Ciencias Químicas por la Universidad de Valencia en 1978 y defendió su Tesis en la misma Universidad en 1982, bajo la dirección del Profesor Estanislao Silla. Realizó estancias postdoctorales en la Universidad de Uppsala (Suecia), trabajando con el Profesor Orlando Tapia desde 1982-1988. En el año 1984 obtuvo la plaza de Profesor Titular de Química-Física en la Universidad de Valencia y en año 1994 la de Catedrático de Química-Física en la Universitat Jaume I de Castellón. Ha sido Profesor visitante en la Universidad de Uppsala (Suecia), Pierre et Marie Curie en Paris (Francia) y Universidad Federal de Sao Carlos en Sao Paulo (Brasil).
Part A. PERSONAL INFORMATION
First and Family name: Juan Andrés
Researcher codes:
- WoS Researcher ID: A-4112-2008
- ORCID: 0003-0232-3957
A.1. Current position
Name of University: Universitat Jaume I
Department: Department of Physical and Analytical Chemistry
Address and Country: Campus del Riu Sec,12071 Castelló (Spain)
E-mail: andres@qfa.uji.es
Current position: Full Professor
Keywords: Physical Chemistry, Theoretical and Computational Chemistry, Structure and Reactivity, Nanomaterials, Catalysis, Nanotechnology
A.2. Education
Bachellor (Chemistry): University of Valencia / 1978
Ph. D.: University of Valencia / 1983
A.3. JCR articles, h Index, thesis supervised
Professor Juan Andrés (JA) have published 20 book chapters, as well as around 478 scientific papers, most of them in top-level international journals. Over 80 of them are considered hot papers.
Their works have received more than 15568 citations (Google Scholar). Their h-index is 67.
Thesis supervised: 30. Six positive evaluated six-year periods (“sexenios”) of research activity according to the R.D. 1086/1989 from 1981-2016 (last recognized period: 2011-2016).
Around 600 communications in Workshop and Congresses. Around 50 invited keynotes/conferences in international Workshops and Congresses. 8 as Chairman in international congresses and 5 in national congresses. 40 Conferences in different Universities in Brazil, Chile, France, Italy, Slovenia, Sweden, United States and United Kingdom. 50 Conferences in different Universities in Spain (Alcala, Barcelona, Bilbao. Cádiz, Gerona, Granada, La Coruña, Madrid, Oviedo, San Sebastián, Santiago de Compostela, Sevilla, Valencia, Vigo, Zaragoza).
Part B. CV SUMMARY
Professor JA has been a post-doctoral researcher at Uppsala University, Sweden (1984-1990); and a Visiting professor at both Pierre et Marie Curie University, Paris (1998 and 2000) and Centro de Desenvolvimento de Materiais Funcionais (CDMF), Brazil (2007 and 2014). On returning from the postdoctoral stay at the University of Uppsala, I decided to start a project aimed at developing and applying quantum mechanics in order to understand the structure and chemical reactivity in homogeneous, heterogeneous and enzymatic catalysis. Nobody in Spain (and only few people in Europe and the US) was working on that topic, which could fit into the field of “Theoretical and Computational Chemistry” (QTC).
In 1991 JA founded at UJI, the “Theoretical and Computational Chemistry” (QTC) Laboratory. In 2000, QTC Laboratory reached the consideration of Center of Excellence Marie-Curie within Improving Human Research Potential and the Socio-Economic Knowledge Base (Research funding of the European Union; project IHP-MCHD-99-1; 2000-2004). Several years of hard work eventually allowed us to obtain good results, which were published as scientific articles in general chemistry journals (sixteen JACS, two Chemical Society Reviews, two Angewandte Chemie, six Chemistry – A European Journal), and in prominent specific journals on physics and chemistry. These articles were the first ones addressing this area of knowledge to be published in Spain, which allowed us to achieve new projects, consolidate this line of research and generate new results. In addition to this line of research, we started working in parallel on materials science and nanotechnology, and we managed and developed R&D&I projects in collaboration with universities in Spain, Sweden, France, Chile, and Mexico, as well as a close collaboration with the CDMF in Brazil. Consequently, the productivity of the QTC grew significantly with works devoted to understanding the chemical structure and the reaction mechanism, and to reaching a deep insight of the properties, on the atomic scale, that determine the macroscopic behaviour of micro- and nanomaterials.
While being QTC’s director, more than 175 researchers and technologists from over twenty countries were trained, 30 of whom obtained a doctoral degree under its direct supervision. Today, 12 of them are Full Professors and 20 of them are Senior Lecturers at universities in Europe and South America. More than 60 of them work as researchers both at universities and R&D&I centres or hold significant positions in different industries in over 20 countries. 5 of them have set up technology-based companies. This led to the publication of numerous scientific articles in high-index international journals. Since 2005, JA has published more than 280 articles in leading international journals.
The work carried out by the QTC has enabled us to produce new materials with properties that have been modulated for technological applications, such as gas sensors, photocatalysts and materials containing silver nanoparticles with very powerful bactericidal and antifungal properties, synthesised by electron and/or laser irradiation. These results have, in turn, led to the creation and consolidation of three spin-offs and start-ups.
Part C. RELEVANT MERITS
C.1. Publications (including books)
Papers publications in first quartile journals (Q1 – 399 articles) are:
– Chemistry, Physical Chemistry and Theoretical and Computational Chemistry (291): Chem. Soc. Rev. (2); J. Am. Chem. Soc. (16); Angew. Chem. Int. Ed. (2); J. Phys. Chem. Lett. (1); Chem. Comm. (2); ChemInform (1); J. Chem. Theory Comput. (4); Chem. Eur. J. (6); Inorg. Chem. (12); J. Org. Chem. (11); J. Chem. Inf. Model. (1); J. Phys. Chem. C (25); Dalton Trans. (3); Organometallics (2); Phys. Rev. B (7); Phys. Chem. Chem. Phys. (21); New J. Chem. (1); J. Comput. Chem. (8); J. Phys. Chem. B (7); ChemPlusChem (1); J. Appl. Phys. (5); J. Chem. Phys. (2); Int. J. Quantum Chem. (18); J. Phys. Chem. (12); J. Phys. Chem. A (36); Theor. Chim. Acta (1); J. Chem. Soc. Faraday Trans. (4); J. Chem. Soc. Perkin Trans. (1); Chem. Phys. (6); Eur. J. Org. Chem. (3); Theor. Chem. Acc. (14); Tetrahedron (5); Tetrahedron Lett. (1); Polyhedron (2); J. Phys. Chem. Solids (3); Chem. Phys. Lett. (42); Comptes Rendus Chim. (1); ChemistrySelect (1), and J. Chem. Educ. (1).
– Material Science (63): Carbon (1); ACS Appl. Mater. Interfaces (1); Acta Mater. (1); J. Mater. Chem. C (2); Nanoscale (1); J. Mater. Chem. (1); Mater. Sci. Eng. C (1); Sci. Technol. Adv. Mater. (1); Catal. Today (2); Mater. Des. (1); Scr. Mater. (1); J. Alloys Compd. (7); J. Eur. Ceram. Soc. (1); Nanomaterials (1): Cryst. Growth Des. (2); Mater. Res. Bull. (2); Ceram. Int. (3); Mater. Today Chem. (1); Mater. Charact. (1); Langmuir (1); Nanotechnology (2); J. Mater. Sci. (3); ChemNanoMat (1); CrystEngComm (7); Mol. Syst. Des. Eng. (1); Part. Part. Syst. Charact. (3); J. Am. Ceram. Soc. (1); Mater. Sci. Semicond. Process. (1); ACS Appl. Bio Mater. (1); J. Magn. Magn. Mater. (2); Mater. Today Comm. (1); J. Solid State Chem. (6); Am. Mineral. (1); and Electrochem. Solid-State Lett. (1).
– Catalysis, multidisciplinary and others (45): Appl. Catal. B. (1); ACS Catal. (2); ACS Sustain. Chem. Eng. (1); Appl. Surf. Sci. (4); Catal. Sci. Technol. (2); ChemCatChem (1); Sci. Rep. (6); Biophys. J. (1); Appl. Phys. Lett. (3); Surf. Sci. (4); Org. Biomol. Chem. (2); J. Electroanal. Chem. (1); Bioorg. Chem. (3); RSC Adv. (3); Bioorg. Med. Chem. (1); Biochem. (1); ACS Omega (4); Comput. Mater. Sci. (1); Optom. Vis. Sci. (1); Spectrochim. Acta A Mol. Biomol. Spectrosc. (1); J. Comput. Aided Mol. Des. (1); and Surfaces (1).
Publications in other quartiles journals (79 articles): Microsc. Microanal. (1); Mater. Chem. Phys. (1); J. Lumin. (1); Bol. Soc. Esp. Ceram. V. (1); Curr. Appl. Phys. (1); Curr. Org. Chem. (1); Superlattice Microst. (1); Inorg. Chim. Acta (2); J. Nanoparticle Res. (1); J. Nanomater. (2); J. Fluoresc. (1); Model. Simul. Mater. Sci. Eng. (2); Mol. Simul. (2); J. Phys. Org. Chem. (6); Interdiscipl. Sci. Comput. Life Sci. (2); Comput. Theor. Chem. (1); Nanomater. Nanotechnol. (1); Lett. Org. Chem. (1); Quím. Nova (1); Cryst. Res. Tech. (1); An. Quím. (4); Folia Chim. Theo. Latina (1); Under. Chem. React. (1); J. Mol. Struct. Theochem (34); Anal. Fís. Univ. País Vasco (2); Tribuna de Astronomia (1); bioRxiv (1); Front. Res. Today (1); Jpn J. Med. Sci. (1); Mol. Eng. (1); Int. Ceram. J. (1); and J. Mater. Sci. Eng. (1).
Book chapters published (20): An Introduction to High Pressure Science and Technology (1); Applications of Topological Methods in Molecular Chemistry (1); Computational Chemistry Methods in Structural Biology of Advances in Protein Chemistry and Structural Biology (1); Crystal Growth: Concepts, Mechanisms and Applications (1);Interdisciplinary Sciences: Computational Life Sciences (1); Materia a Alta Presión: Fundamentos y Aplicaciones (1);Modelling Molecular Structure and Reactivity (1); Photoluminescence: Applications, Types and Efficacy (2); Recent Advances in Complex Functional (1); Recent Advances in the Theory of Chemical and Physical Systems. Series Progress in Theoretical Chemistry and Physics (1); Recent Research Developes in Physical Chemistry (1); Recent Research Developes in Quantum (1); Solvent Effects and Chemical Reactivity (2); The Chemistry of Functional Groups of the Patai Series. “The Chemistry of Metal Enolates” (2); Theoretical Treatments of Hydrogen Bonding (1);Third ECers. Proc. 3 rd European Ceramic Society Conf (1); Third Euro-Ceram (1).
Most relevant publications (10 articles in in the last 5 years)
Andrés, J. et al., “SiO2-Ag Composite as a Highly Virucidal Material: A Roadmap That Rapidly Eliminates SARS-CoV-2”. Nanomaterials, 2021, 11, 638-658.
Andrés, J. et al., “A Scalable Electron Beam Irradiation Platform Applied for Allotropic Carbon Transformation”. Carbon, 2021, 174, 567-580.
Andrés, J. et al., “Selective Synthesis of α-, β-, and γ-Ag2WO4 Polymorphs: Promising Platforms for Photocatalytic and Antibacterial Materials”. Inorganic Chemistry, 2021, 60, 1062−1079
Andrés, J. et al., “Catalytic Hydrogenation of Azobenzene in the Presence of a Cuboidal Mo3S4 Cluster via an Uncommon Sulfur-Based H2 Activation Mechanism”. ACS Catalysis, 2020, 11, 608-614.
Andrés, J. et al., “Connecting the surface structure, morphology and photocatalytic activity of Ag2O: An in depth and unified theoretical investigation”. Applied Surface Science, 2020, 509, 145321.
Andrés, J. et al., “Tailoring the Bactericidal Activity of Ag Nanoparticles/α-Ag2WO4 Composite Induced by Electron Beam and Femtosecond Laser Irradiation: Integration of Experiment and Computational Modeling”. ACS Applied Bio Materials, 2019, 2, 824-837.
Andrés, J. et al., “Ag Nanoparticles/-α-Ag2WO4 Composite Formed by Electron Beam and Femtosecond Irradiation as Potent Antifungal and Antitumor Agents”. Scientific Reports, Nature Publishing Group, 2019, 9, 9927.
Andrés, J. et al., “Cuboidal Mo3S4 Clusters as a Platform for Exploring Catalysis: A Three-Center Sulfur Mechanism for Alkyne Semihydrogenation”. ACS Catalysis, 2018, 8, 7346-7350.
Andrés, J. et al., “Connecting Structural, Optical, and Electronic Properties and Photocatalytic Activity of Ag3PO4:Mo Complemented by DFT Calculations”. Applied Catalysis B: Environmental, 2018, 238, 198-211.
Andrés, J. et al., “Mechanism of Antibacterial Activity via Morphology Change of α-AgVO3: Theoretical and Experimental Insights”. ACS Applied Materials & Interfaces, 2017, 9, 11472-11481.
C.2. Research projects and grants
Since 1985, JA has spent many years working as a scientific manager, as the main researcher of more than 90 R&D&I projects funded by various organisations, including the European Union, different Spanish Ministries of Science and Technology, Generalitat Valenciana, and UJI. He leads the Computational and Theoretical Chemistry (QTC) considered as center of excellence Marie-Curie of European Union. Together they represent a total funding worth around 50,000,000 euros. More than 80% of the contributions have been developed at the QTC Laboratory at UJI. All this has allowed us to position the QTC Laboratory, at UJI, as a Centre of recognised international prestige, due to its capacity to attract human and economic resources with which to carry out R&D&I projects, with proven results located on the border between scientific and technological knowledge. The QTC is also renowned for preparing qualified scientific and technical staff, which has contributed to boosting the economy of our local community. In addition, a new multi and interdisciplinary field of R&D&I has been established in a broad sphere of action in which chemistry, physics, quantum mechanics, materials and surfaces science, catalysis and nanotechnology converge. The quality and originality of the results and contributions obtained from the QTC have caused a paradigm shift both in terms and in the way that new advanced materials are studied, researched, discovered, synthesized and applied. With all this, they have managed to achieve an innovative know-how in the development of new technologies.
C.3. Contracts
JA have participated in the achievement of bilateral agreements and collaboration projects with private companies such as IBM and Silicon Graphics in Spain, BP Oil in Castelló, and Decom in Valencia. Around the year 2005, I initiated a deep change in the focus of our research with the aim of achieving innovative results that are currently being successfully implemented in order to generate new technologies. The QTC’s original approach is based on coupling theory and simulation to experimentation. This work strategy has allowed us to find and design structure–activity relationships and to obtain new physical and chemical properties of materials for specific technological applications. Thus, an unprecedented phenomenon associated with the formation of silver nanoparticles under electron and/or laser irradiation has been discovered, and greener routes and sustainable technologies have been developed to obtain materials with improved optical properties, which act as new catalysts and photocatalysts, as well as powerful bactericides/fungicides/antivirals and toxicological agents. R&D&I and technology transfer projects have been carried out with several companies, such as Companhia Sidrurgica Nacional (CSN), NATURA and 3M in Brazil. Attempts are currently being made to initiate this kind of work with several Spanish companies in the textile, plastic and ceramic sectors located in Castelló (ESMALGLASS-ITACA-FRITA), Spain, and Europe. New gas sensors have been developed (their use is being regulated by the Argentinian government to prevent poisoning by exposure to and inhalation of toxic gases), as well as new equipments, to make the production of nanomaterials scalable and viable (patent pending). The latter have enabled the development of materials, composed by silver nanoparticles, with very powerful antibacterial, fungicidal and antiviral properties. Actually, the company NANOX, in collaboration with the societies ELKA and IEC Partners, is manufacturing protective masks in Brazil, based on these nanomaterials in an attempt to offer greater protection against SARS-CoV-2.
C.4. Patents
JA participated in the development of 14 patents (registered and operating). He has involved in the implementation of a number of spin-offs and start-ups such as NANOX TECHNOLOGY, KOMOSCIENCE and KATLEIA, in collaboration with the CDMF in Brazil.
C.5. Institutional and academic management
Part of the career has been dedicated to academic management at UJI: JA has held the positions of Director of International Relations (1991-1993) and Director of the Department of Experimental Sciences (1994-1999). As Vice-Rector for Scientific and Technological Promotion at UJI (2000-2005), JA was responsible for designing the strategic plan for the creation and consolidation of UJI’s science and technology park (now ESPAITEC).
C.6. International and national recognition.
JA has participated in many national and international activities that have helped make the QTC and UJI known in other countries. JA has delivered around 125 guest lectures at international congresses and at different universities around the world. Its contributions have played a fundamental role in establishing and consolidating the QTC in Spain and in enhancing its reputation around the world. JA was one of the founders, as well as the organiser of the first edition of the Master’s and Doctoral Programme in “Theoretical Chemistry and Computational Modelling” at UJI in the year 2000, which is today an Erasmus Mundus+ programme in which more than 50 European universities participate.
C.7. Dissemination of the relevance of science and technology in society
JA has carried out innumerable activities involving the popularisation and dissemination of science and technology (university, secondary school, press and television, etc.).
Member of the “Real Sociedad Española de Química”. Member of the international comittee of the “Isotopes” congress held in 2007 in Benicassim, of 3 editions of QUITEL (Theoretical Chemists of Latin Expression), and of the SBMat for 2 editions. Collaborator of the “International Workshop on Transition Metal Clusters” the third edition (IWTMC-III) held in 2012 in Benicassim (Spain) and organizer and chairman of the “Electronic Structures: Principles and Applications” (ESPA) held in 2016 in Castellón. Project evaluator of the NFC (USA), ANEP (Spain), of the Danish Agency for Science, of the National Science Center (Poland), Research Foundation – Flanders (FondsWetenschappelijk Onderzoek – Vlaanderen, FWO, Belgium), FONDECYT (Chile), FONCYT (Argentina), National Agency for Resercah and Innovation of Uruguay, AGAUR (Generlaitat of Catalonia, Spain), an)d Asturias Government (Spain). Scientific reviewer of more than 500 scientific paper in 65 international journals on materials science, physical chemistry, organic/inorganic chemistry, nanotechnology and catalysis, including the more revelant in these fields. Granted with X Edition Research Award from the Social Council of the University Jaume I in 2010 for his scientific trajectory. Awarded in EXPOQUIMIA I+D+i in 2008 in the Biotechnology category, with work entitled: Computer design of biological catalysts. The work entitled “Modulation by modelling of the morphology of (nano) micromaterials” by A. Gouveia, E. Longo and J. Andrés, presented at Nano-Micro Conference 2018, held in South Korea, December 2018, received the innovation award.