Fitxa persona

Investigador Contratado. Profesor Titular de Universidad Fecha de inicio: 27/09/22.

QCEXVAL group webpage. Quantum Chemistry of the Excited State - Universitat de València (QCEXVAL) group Group leader: Daniel Roca-Sanjuán Group code at the Universitat de València: GIUV2016-277 http://www.uv.es/qcexval.

. Daniel Roca-Sanjuán is currently working as a 'Profesor Titular de Universidad' (Associate Professor) at the Institut de Ciència Molecular, Universitat de València (Spain). In 2003, he graduated in chemistry at the University of Valencia, where he received his Ph.D. degree in 2009 for his quantum-chemistry studies on DNA photochemistry done in the Quantum Chemistry of the Excited State (QCEXVAL) group of Profs. Manuela Merchán and Luis Serrano-Andrés. In 2010, he moved to the group of Prof. Roland Lindh at the Department of Chemistry-Ångström, Uppsala University (Sweden), with a Marie Curie postdoctoral grant, where he researched on the development and application of quantum-chemical methods with the MOLCAS program to the bioluminescence and chemiluminescence phenomena. He also learnt metadynamics from Dr. M. Parrinello at the Université della Svizzera italiana (Switzerland; 3 months) and Istituto Italiano di Tecnologia (Italy; 6 months). In 2013, he returned to the QCEXVAL group as a postdoctoral 'Juan de la Cierva' fellow. Later (in 2017), he got a 'Ramón y Cajal' fellowship to become a group leader. In 2017, he was also invited researcher at the Université Paris-Est (France; 1 month). He is now leading the group and his current research focuses on computational modelling of photo-induced and chemically-induced processes of interest in bimedicine and atmospheric chemistry. Dr. Roca-Sanjuán is co-author of 99 articles + 1 comment + 5 reviews + 6 proceedings in international peer-reviewed SCI journals (including 3 Nat. Comm., 1 Sci. Adv., 1 Chem. Rev., 1 Proc. Natl. Acad. Sci. U.S.A., 6 J. Am. Chem. Soc., 2 Angew. Chem. Int. Ed., 4 J. Phys. Chem. Lett., 1 Chem. Sci., 13 J. Chem. Theor. Comput. and 4 Chem. Eur. J.; 14/49 % as first/corresponding author; 12 in journals of IF > 10 and 74 in Q1) and 11 book chapters. His contributions have received over 2500 citations and he has an h-index of 35. DRS is principal investigator (PI) in 9 research projects (4 National-MICINN, 1 BBVA, 1 Université Paris-Est Marne-La-Vallée and 3 Local-GV) and has participated in other 5 European, 7 Spanish, 2 Swedish and 3 local (Generalitat Valenciana) projects. He has given 13 invited/plenary talks and 12 invited seminars/conferences and has organized 3 international and 2 national congresses/workshops and contributed with 3 outreach tasks (1 European and 2 local). Regarding his experience in teaching and supervising master and PhD students, DRS participates as local tutor at the Universitat de València in the EM-TCCM master program and the IJD-TCCM doctorate program funded by the European Commission. He has supervised 6 doctoral theses and 20 EM-TCCM master theses (14 local students and 6 from the mobility program), plus 11 Bachelor's Theses. His work has been recognized with the 'Quantum Systems in Chemistry and Physics Promising Scientist Prize' by the international society Centre de Mécanique Ondulatoire Appliquée' (in 2018), the Spanish 'Fundación BBVA' grant (in 2019) and the membership in the international scientific committee of the European Photobiology Society (2020)..

Cinco aportaciones científicas más relevantes. M. Vacher, I. Fdez. Galván, B.-W. Ding, S. Schramm, R. Berraud-Pache, P. Naumov, N. Ferré, Y.-J. Liu, I. Navizet, D. Roca-Sanjuán, W. J. Baader, R. Lindh*, 'Chemi-and bioluminescence of cyclic peroxides', Chem. Rev. 2018, 118, 6927 A. Saiz-Lopez*, S. P. Sitkiewicz, D. Roca-Sanjuán, J. M. Oliva-Enrich, J. Z. Dávalos, R. Notario, M. Jiskra, Y. Xu, F. Wang, C. P. Thackray, E. M. Sunderland, D. J. Jacob, O. Travnikov, C. A. Cuevas, A. U. Acuña, D. Rivero, J. M. C. Plane, D. E. Kinnison, J. E. Sonke, 'Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition', Nat. Comm. 2018, 9, 4796 A. Saiz-Lopez*, A. U. Acuña, T. Trabelsi, J. Carmona-García, J. Z. Dávalos, D. Rivero, C. A. Cuevas, D. E. Kinnison, S. P. Sitkiewicz, D. Roca-Sanjuán*, J. S. Francisco*, 'Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process', J. Am. Chem. Soc. 2019, 141, 8698 A. Francés-Monerris, J. Carmona-García, U. Acuña, J. Dávalos, C. Cuevas, D. Kinnison, J. Francisco, A. Saiz-Lopez*, D. Roca-Sanjuán*, 'Photodissociation mechanisms of major Hg (II) species in the atmospheric chemical cycle of mercury', Angew. Chem. Int. Ed. 2020, 59, 7605 A. Saiz-Lopez, O. Travnikov, J. E. Sonke, C. P. Thackray, D. J. Jacob, J. Carmona-García, A. Francés-Monerris, D. Roca-Sanjuán, A. U. Acuña, J. Z. Dávalos, C. A. Cuevas, M. Jiskra, F. Wang, J. Bieser, J. M. C. Plane, J. S. Francisco*, 'Photochemistry of oxidized Hg (I) and Hg (II) species suggests missing mercury oxidation in the troposphere', Proc. Natl. Acad. Sci. U. S. A. 2020, 117, 30949.

. h-index: 35 Total number of citations (WOS): 2777 Total number of publications (articles+proceedings+book chapters): 122 First author publications: 14 % Corresponding author publications: 49 % Publications in journals with IF > 10: 12 Publications in Q1 journals: 74 Number of Doctoral Theses as supervisor: 6 Number of Master Theses as supervisor: 20 Top 5 most relevant scientific achievements: M. Vacher, I. Fdez. Galván, B.-W. Ding, S. Schramm, R. Berraud-Pache, P. Naumov, N. Ferré, Y.-J. Liu, I. Navizet, D. Roca-Sanjuán, W. J. Baader, R. Lindh*, 'Chemi-and bioluminescence of cyclic peroxides', Chem. Rev. 2018, 118, 6927 A. Saiz-Lopez*, S. P. Sitkiewicz, D. Roca-Sanjuán, J. M. Oliva-Enrich, J. Z. Dávalos, R. Notario, M. Jiskra, Y. Xu, F. Wang, C. P. Thackray, E. M. Sunderland, D. J. Jacob, O. Travnikov, C. A. Cuevas, A. U. Acuña, D. Rivero, J. M. C. Plane, D. E. Kinnison, J. E. Sonke, 'Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition', Nat. Comm. 2018, 9, 4796 A. Saiz-Lopez*, A. U. Acuña, T. Trabelsi, J. Carmona-García, J. Z. Dávalos, D. Rivero, C. A. Cuevas, D. E. Kinnison, S. P. Sitkiewicz, D. Roca-Sanjuán*, J. S. Francisco*, 'Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process', J. Am. Chem. Soc. 2019, 141, 8698 J. Carmona-García, A. Francés-Monerris, C. A. Cuevas, T. Trabelsi, A. Saiz-Lopez*, J. S. Francisco,* D. Roca-Sanjuán*, 'Photochemisty and non-adiabatic photodynamics of the HOSO radical', J. Am. Chem. Soc. 2021, 143, 10836 A. Francés-Monerris,* J. Carmona-García, T. Trabelsi, A. Saiz-Lopez, J. R. Lyons,* J. S. Francisco,* D. Roca-Sanjuán*, 'Photochemical and thermochemical pathways to S2 and polysulfur formation in the atmosphere of Venus', Nat. Comm. 2022, 13, 4425.

Cinco aportaciones científicas más relevantes. M. Vacher, I. Fdez. Galván, B.-W. Ding, S. Schramm, R. Berraud-Pache, P. Naumov, N. Ferré, Y.-J. Liu, I. Navizet, D. Roca-Sanjuán, W. J. Baader, R. Lindh*, 'Chemi-and bioluminescence of cyclic peroxides', Chem. Rev. 2018, 118, 6927 A. Saiz-Lopez*, S. P. Sitkiewicz, D. Roca-Sanjuán, J. M. Oliva-Enrich, J. Z. Dávalos, R. Notario, M. Jiskra, Y. Xu, F. Wang, C. P. Thackray, E. M. Sunderland, D. J. Jacob, O. Travnikov, C. A. Cuevas, A. U. Acuña, D. Rivero, J. M. C. Plane, D. E. Kinnison, J. E. Sonke, 'Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition', Nat. Comm. 2018, 9, 4796 A. Saiz-Lopez*, A. U. Acuña, T. Trabelsi, J. Carmona-García, J. Z. Dávalos, D. Rivero, C. A. Cuevas, D. E. Kinnison, S. P. Sitkiewicz, D. Roca-Sanjuán*, J. S. Francisco*, 'Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process', J. Am. Chem. Soc. 2019, 141, 8698 A. Francés-Monerris, J. Carmona-García, U. Acuña, J. Dávalos, C. Cuevas, D. Kinnison, J. Francisco, A. Saiz-Lopez*, D. Roca-Sanjuán*, 'Photodissociation mechanisms of major Hg (II) species in the atmospheric chemical cycle of mercury', Angew. Chem. Int. Ed. 2020, 59, 7605 A. Saiz-Lopez, O. Travnikov, J. E. Sonke, C. P. Thackray, D. J. Jacob, J. Carmona-García, A. Francés-Monerris, D. Roca-Sanjuán, A. U. Acuña, J. Z. Dávalos, C. A. Cuevas, M. Jiskra, F. Wang, J. Bieser, J. M. C. Plane, J. S. Francisco*, 'Photochemistry of oxidized Hg (I) and Hg (II) species suggests missing mercury oxidation in the troposphere', Proc. Natl. Acad. Sci. U. S. A. 2020, 117, 30949.