Imperial College London

Dr Javier Segarra Martí

Faculty of Natural SciencesDepartment of Chemistry




j.segarra-marti Website




109Molecular Sciences Research HubWhite City Campus





Javier is a Postdoctoral Research Associate working in the Department of Chemistry. He is currently a Marie Skłodowska-Curie Individual Fellow and his research interests lie in the field of computational chemistry, including applications and method development, and more particularly in theoretical photochemistry and spectroscopy. He is involved in the MOLCAS and COBRAMM quantum chemistry codes and collaborates with experimental laser spectroscopists working on the development of multidimensional electronic (2DES) techniques and their use to monitor photo-initiated chemical reactions.



Jaiswal VK, Segarra-Marti J, Marazzi M, et al., 2020, First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases, Physical Chemistry Chemical Physics, Vol:22, ISSN:1463-9076, Pages:15496-15508

Aquilante F, Autschbach J, Baiardi A, et al., 2020, Modern quantum chemistry with [Open]Molcas, Journal of Chemical Physics, Vol:152, ISSN:0021-9606

Alvertis AM, Barford W, Bourne Worster S, et al., 2020, Spectroscopic signatures of quantum effects: general discussion, Faraday Discussions, Vol:221, ISSN:1359-6640, Pages:322-349

Segarra-Martí J, Segatta F, Mackenzie TA, et al., 2020, Modeling multidimensional spectral lineshapes from first principles: Application to water-solvated adenine, Faraday Discussions, Vol:221, ISSN:1359-6640, Pages:219-244

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