Ma DEL CARMEN MARÍN PÉREZ
Ph.D. Chemical Sciences and Pharmacy® November, 9 1992
[ mdcmarinperez@gmail.com
Ó +34 626 899 074½ Calle Teatro, 67 Quesada (Jaén), 23480 Spain¯ www.linkedin.com/in/mdcmarin

WORK EXPERIENCEEDUCATION

JSPS Postdoctoral Felloship

Ph.D. Chemical Sciences andPharmacy

University of Tokyo (ISSP) Nov 2020 –½ Kashiwano-ha, Kashiwa, Japan• Physicochemical study on the molecular mechanism of microbial rhodopsins and other photo-receptive proteins.

Laboratory Analyst
La Bética Aceitera S.C.A.
 Nov 2019 – Mar 2020

½ Quesada, Jaén, Spain• Analysis of olive and pomace yields by Soxhlet method andNIR and NMR spectroscopy.

University of Siena Nov 2015–Mar2019 ½ Siena, Italy• GPA: Cum LaudeMSc. Characterization of ChemicalSystems
University of Alcalá
 Sep 2014 – Jul 2015 ½ Madrid, Spain• GPA: 7.8/10

MIUR Fondation Postdoctoral Scholarship
University of Siena (UNISI) Nov 2018 – Oct 2019

BSc. Chemistry½ Siena, Italy• Computational research of ﬂuorescent mutants for Optogenetic applications.

University of Jaén
 Sep 2010 – Jul 2014 ½ Jaén, Spain• Specialty: Oil technology• GPA: 7.5/10

Ph.D. Internship
Institute of Physics and Chemistry of Materials (CNRS) Nov 2017 – Feb 2018

½ Strasbourg, France• Development and applications of computational QM/MMmodels to discover/understanding the high ﬂuorescence observed in some mutants in microbial rhodopsins.

Ph.D. InternshipLaboratory of Computational Photochemistry andPhotobiology (BGSU)
 Mar – Aug 2016

½ Bowling Green, Ohio, EEUU

• Computational investigation of the “Primary event” observedin biological photoreceptors. Development of a computational
protocol for the automatic construction of congruous sets of
QM/MM models of rhodopsin-like photoreceptors.

SCIENTIFIC SKILLS• Extensive knowledge of the most advanced
computational chemistry methods (level oftheory), including but not limit to:• Wave function-based methods, such as
C(R)ASSCF/MS-C(R)ASPT2• DFT and TD-DFT• Semi-empirical methods (MP2)• Embedding methodologies, such us
QM/MM and solvation models• Highly skilled in the description of chemicaland photochemical reaction paths, though thelocation of:• Stationary structures• Conical intersections• Minimum energy paths

MSc. Internship
MINYNANOTECH. University of Alcalá (UAH) Jau – Jul 2015

½ Madrid, Spain• Description and rationalization of chemicalreactions.

• Development of new material modiﬁed with nanomaterials forelectrochemical sensing and (bio)sensing.

• Experienced in the retrieval of physical chemical properties of molecules, with particularemphasis on photoactive compounds.

BSc. Internship• Excellent interpersonal skills, demonstrated
by communicating with supervised students,
colleagues and non-technical professionals ona daily basis.

Nutrientes Foliares S.A.
 Jul – Sep 2013½ Quesada, Jaén, Spain• Development and analysis of new fertilizers for treatment ofolive, vineyard and fruit trees.

• Able to work individually without direct supervision and also as a dedicated member of atechnical team whenever required.

STRENGTHSLANGUAGES• Leadership and team work

• Spanish: Mother Tongue• Fast learner• Critical thinking• English: Oﬃcial Cambridge Certiﬁcate (LevelB2)• Good communication skills• Italian: Oﬃcial CILS Certiﬁcate (Level B1)• Data analysis and numerical reasoning

HONORS & AWARDSPROGRAMMINGFortran, Python, BashMolcas, Propka, Oﬃce package, Latex
Avogadro, Gaussian, Molden, VMD, PyMol○○○○○○○○○○○○○○○PUBLICATIONS• L. Pedraza-González, M.d.C. Marín, A. N. Jorge, T. D. Ruck, X.
Yang, A. Valentini, M. Olivucci and L. De Vico (2020) “WebARM: a Web-Based Interface for the Automatic Constructionof QM/MM Models of Rhodopsins” J. Chem. Inf. Model. 60(3):1481-1493.
• K. Inoue, M.d.C. Marín, S. Tomida, R. Nakamura, Y. Nakajima,M. Olivucci, and H. Kandori (2019) “Red-shifting Mutation ofLight-driven Sodium Pump Rhodopsin” Nature Comm. 10(1):1993-2004.
• L. Pedraza-González, L. De Vico, M.d.C. Marín, F. Fanelli andM. Olivucci (2019) “a-ARM: Automatic Rhodopsin Modelingwith Chromophore Cavity Generation, Ionization State Selection and External Counter-ion Placement” J. Chem. Theory
Comput., 15(5): 3134-3152.
• M.d.C. Marín, L. De Vico, S.S. Dong, L. Gagliardi, D.G. Truhlarand M. Olivucci (2019) “Assessment of MC-PDFT excitationenergies for a set of QM/MM models of rhodopsins” J. Chem.
Theory Comput. 15(3): 1915-1923.
• M.d.C. Marín, D. Agathangelou, Y. Orozco-Gonzalez, A. Valentini, Y. Kato, R. Abe-Yoshizumi, H. Kandori, A. Choi, K-H. Jung,
S. Haacke, and M. Olivucci (2019) “Fluorescence Enhancementof a Microbial Rhodopsin via Electronic Reprogramming” J. Am.
Chem. Soc. 141(1): 262-271.
• D. Agathangelou, Y. Orozco-Gonzalez, M.d.C. Marín, P.P. Roy,J. Brazard, H. Kandori, K-H. Jung, J. Léonard, T. Buckup, N.
Ferré, M. Olivucci and S.Haacke (2018) “Eﬀect of point mutations on the ultrafast photo-isomerization of Anabaena sensory rhodopsin” Faraday Discuss. 207, 55-75.
• D. Smyrnova, M.d.C. Marín, M. Olivucci and A. Ceulemans(2018) “Systematic excited state studies of reversibly switchable ﬂuorescent proteins” J. Chem. Theory Comput. 14(6):3163-3172.
• Y. Orozco-Gonzalez, M. Manathunga, M.d.C. Marín, D. Agathangelou, K-H. Jung, F. Melaccio, N. Ferré, S. Haacke, K. Coutinho,S. Canuto, and M. Olivucci (2017) “An average solvent electrostatic conﬁguration protocol for QM/MM free energy optimization: Implementation and application to rhodopsin systems” J. Chem. Theory Comput. 13(12): 6391-6404.
• F. Melaccio, M.d.C. Marín, A. Valentini, F. Montisci, S. Rinaldi,
M. Cherubini, X. Yang, Y. Kato, M. Stenrup, Y. Orozco-Gonzalez,
N. Ferré, H.L. Luk, H. Kandori, and M. Olivucci (2016) “Towardautomatic rhodopsin modeling as a tool for high-throughput
computational photobiology” J. Chem. Theory Comput. 12(12);6020-6034.
• M. Moreno-Guzman, A. Martín, M.d.C. Marín, T. Sierra, A.
Ansón-Casaos, M.T. Martínez, A. Escarpa (2016) “Electrochemical behavior of hybrid carbon nanomaterials: the chemistrybehind electrochemistry“ Electrochimica Acta 214: 286-294.

• Primo Levi Award 2019: Awarded with theMention of Merit by Italian Chemical Society.
• TEDx Communication Siena 2019 “Our journey, our vision, an excellent project!”• Best Ph.D. Thesis Cycle XXXI awarded by theUniversity of Siena.
• Awarded with Project of Excellent 2018-2022
Foundation Scholarship (MIUR, Nov 2018 –Oct 2019). University of Siena (Italy).

REFERENCES
Prof. Keiichi Inoue[ inoue@issp.u-tokyo.ac.jp
R Associated Professor.The Institute for

Solid State Physhics.
University of Tokyo
5-1-5, Kashiwano-ha, Kashiwa, 2770882 Chiba, Japan0471363230

Prof. Massimo Olivucci[ molivuc@bgsu.edu
R Full Professor. Department of Biotech-

nology, Chemistry and Pharmacy.
University of Siena
Via Aldo Moro, 2 53100 Siena, Italy+39 0577 23474 - 4278

Prof. Luis Manuel Frutos[ luisma.frutos@uah.es
R Full Professor.Department of Ana-lytic Chemistry, Physical Chemistry andChemical Engineering.
University of AlcaláCtra. Madrid-Barcelona 28871 Alcalá deHenares (Madrid) Spain+34 91 885 2512

EXTRA INFORMATION• Driving license category B.
• Availability to geographic mobility• Oﬃcial certiﬁcation of prevention of occupational hazards• Extensive experience in agricultural campaign(olive harvesting)