Education
Ph.D. Photochemical Sciences, Center for Photochemical Sciences, Bowling Green State University (BGSU), USA. 2018-2023
M.S. Chemistry, Center for Photochemical Sciences, Bowling Green State University (BGSU), USA. 2022-2023
M.S. Radiochemical Sciences, Higher Institute of Applied Sciences and Technologies (InSTEC), University of Havana (UH), Cuba. 2015-2017
B.S. Radiochemistry (summa cum laude), Higher Institute of Applied Sciences and Technologies (InSTEC), University of Havana (UH), Cuba. 2010-2015
Research Interest
My area of focus is the study of photoisomerization mechanisms in molecular motors. I utilize semi-classical molecular dynamics simulations in the frame of hybrid quantum-mechanics molecular-mechanics (QMMM) models to delve into the complex relationship between electronic and nuclear motions that govern these processes. Besides, collaborating with teams from multiple disciplines and integrating theory and experiment to enhance the design and effectiveness of molecular motors.
Publications
Blanco-Gonzalez, A., Manathunga, M., Yang, X., Olivucci M. (2024). "Comparative quantum-classical dynamics of natural and synthetic molecular rotors show how vibrational synchronization modulates the photoisomerization quantum efficiency." Nat Commun 15, 3499.
Simachew Bezabih, M., S. Kaliakin, D., Blanco-González, A., Barneschi, L., N. Tarnovsky, A., & Olivucci, M. (2023). “Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories”. The Journal of Physical Chemistry B, 127 (50), 10871-10879.
Manni, G. L., Galván, I. Fdez., Alavi, A., Aleotti, F., Aquilante, F., Autschbach, J., Avagliano, D., Baiardi, A., Bao, J. J., Battaglia, S., Birnoschi, L., Blanco-González, A., Bokarev, S. I., Broer, R., Cacciari, R., Calio, P. B., Carlson, R. K., Couto, R. C., Cerdán, L., … Lindh, R. (2023). “The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry.” Journal of Chemical Theory and Computation, 19 (20), 6933-6991.
Barneschi, L., Marsili, E., Pedraza-González, L., Padula, D., de Vico, L., Kaliakin, D., Blanco-González, A., Ferré, N., Huix-Rotllant, M., Filatov, M., Olivucci, M. (2022). “On the fluorescence enhancement of arch neuronal optogenetic reporters.” Nature Communications, 13 (1), 6432.
Filatov(Gulak), M., Paolino, M., Pierron, R., Cappelli, A., Giorgi, G., Léonard, J., Huix-Rotllant, M., Ferré, N., Yang, X., Kaliakin, D., Blanco-González, A., Olivucci, M. (2022). “Towards the engineering of a photon-only two-stroke rotary molecular motor.” Nature Communications, 13 (1), 6433.
Chatterjee, G., Jha, A., Blanco-Gonzalez, A., Tiwari, V., Manathunga, M., Duan, H. G., Tellkamp, F., Prokhorenko, V. I., Ferré, N., Dasgupta, J., Olivucci, M., Miller, R. J. D. (2022). “Torsionally broken symmetry assists infrared excitation of biomimetic charge-coupled nuclear motions in the electronic ground state. Chemical Science.” 13 (32), 9392–9400.
Hernández-Valdés, D., Blanco-González, A., García-Fleitas, A., Rodríguez-Riera, Z., Meola, G., Alberto, R., & Jáuregui-Haza, U. (2017). “Insight into the structure and stability of Tc and Re DMSA complexes: A computational study.” Journal of Molecular Graphics and Modelling, 71, 167–175.
Jáuregui, U., Blanco, A., Hernández, D., García, A., Rodríguez, Z., (2016). “Actualidad y retos de la química de los complejos 99mTc,186/188Re-DMSA.” ALASBIMN Journal, ISSN: 0717 - 4055.
Rodríguez-Riera Z, Robaina-Mesa M, Jáuregui-Haza U, Blanco-González A, Rodríguez-Chanfrau J. (2014). “Empleo de la radiación ultrasónica para la extracción de compuestos bioactivos provenientes de fuentes naturales. Estado actual y perspectivas.” Revista CENIC Ciencias Químicas, Vol. 45, pp. 139-147.
Conference Presentations
Ohio Photochemical Society Meeting (OoPS) Meeting. July 2022, Bowling Green, OH, USA. Talk: “Torsionally broken symmetry assists infrared excitation of biomimetic charge-coupled nuclear motions in the electronic ground state.” (Third place Oral Presentation)
52nd Midwest Theoretical Chemistry Conference (MWTCC). June 2022, Columbus, OH, USA. Talk: “Torsionally broken symmetry assists infrared excitation of biomimetic charge-coupled nuclear motions in the electronic ground state.”
ACS Spring Meetings, 2022. The Synergy of Theory and Experiment: A Symposium in Honor of Prof. John F. Stanton. March 2022, San Diego, CA, USA. Talk: “Vibrationally-induced ground-state charge transfer in a donor-bridge-acceptor in solution: A multi-reference quantum chemical population dynamics study.”
11th Seminars of Advanced Studies on Molecular Design and Bioinformatics (SEADIM). Varadero, July 2017, Cuba. Poster: “Theoretical study of DMSA degradation reaction.”
V International Seminar of Center of Isotopes (CENTIS). Havana, Cuba. February 2016. Poster: “Insight into the structures and stabilities of Tc and Re DMSA complexes: A computational study.”
II Symposium of Molecular Images Cuba-Japan. Havana, Cuba. January 2016. Poster: “Potentials of computational modeling to design of radiopharmaceutical” (Award to Best Poster).
3rd International Congress on Research, Development, and Technological Innovation in the BioPharmaceutical Industry (IDIFARMA 2016). Havana, Cuba. December 2016. Talk: “Quality evaluation of DMSA, raw material for the production of radiopharmaceuticals.”
10th International Congress of Higher Education “University 2016”, X Workshop InSTEC. Havana, Cuba, March 2015. Talk: “Theoretical study of Tc and Re-DMSA complexes used in Radiopharmacy.”
Awards & Scholarships
3rd place in Oral Presentations at the Ohio Photochemical Society (OoPS) Meeting. July 11-13, 2022, Bowling Green, OH, USA. 2022
National Union of Students award for outstanding teaching labor in Quantum Chemistry subject at the Higher Institute of Applied Sciences and Technologies (InSTEC), University of Havana (UH), Cuba. 2016
Cuban Agency of Nuclear Energy and Advanced Technologies (AENTA) Scholarship for participation in the International Student Practices at the Joint Institute for Nuclear Research (JINR), Dubna, Russia. 2016
Best poster at the II Symposium of Molecular Images Cuba-Japan 2016. Havana, Cuba. 2016
Cuban Agency of Nuclear Energy and Advanced Technologies (AENTA) Award for Best Graduate of Nuclear Careers. Havana, Cuba. 2015
Multiple awards at the Scientific Student Competition InSTEC-UH, Havana, Cuba. These accolades include the Special Prize "Grand Prize InSTEC" for the best work of the event, the Prize "Bigger Scientific Contribution" of the event, and the 1st Prize in the Radiochemistry section. 2015
