Summary
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.
Publications
Journals
Cuéllar-Zuquin J, Pepino AJ, Fdez Galván I, et al., 2023, Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size., J Chem Theory Comput, Vol:19, Pages:8258-8272
Segarra-Marti J, Tran T, Bearpark MJ, 2022, 3-Methylation alters excited state decay in photoionised uracil, Physical Chemistry Chemical Physics, Vol:24, ISSN:1463-9076, Pages:27038-27046
Chan HHS, Fitzpatrick N, Segarra-Marti J, et al., 2021, Molecular excited state calculations with adaptive wavefunctions on a quantum eigensolver emulation: reducing circuit depth and separating spin states, Physical Chemistry Chemical Physics, Vol:23, ISSN:1463-9076, Pages:26438-26450
Segarra-Martí J, Bearpark MJ, 2021, Modelling photoionisation in isocytosine: potential formation of longer-lived excited state cations in its keto form., Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry, Vol:22, ISSN:1439-4235, Pages:2172-2181
Segarra‐Martí J, Bearpark MJ, 2021, Front Cover: Modelling Photoionisation in Isocytosine: Potential Formation of Longer‐Lived Excited State Cations in its Keto Form (ChemPhysChem 21/2021), Chemphyschem, Vol:22, ISSN:1439-4235, Pages:2138-2138