Summary
My research interests focus on disordered carbon materials due to their sustainability and tunability to target a wide variety of technological applications, in particular ion batteries, gas storage and air and water purification.
I joined Imperial in 2021 with a Marie Sklodowska-Curie fellowship to work in the optimisation of carbon electrodes for sodium-ion batteries, a more sustainable alternative to lithium-based chemistries. Here, I am working closely with experimentalists leaders in the field to guide the rational design of the active carbon material combining high-throughput atomistic simulation and machine-learning tools.
Prior to joining Imperial, I worked as Senior Computational Materials Scientist in Happy Electron Ltd. (2020), an international start-up company developing next-generation batteries in the electric vehicles industry with headquarters in London. Before moving to London I held positions at The University of Tokyo as JSPS Postdoctoral Fellow, and Curtin University as Research Associate in the Carbon Group.
Selected Publications
Journal Articles
Karasulu B, Leyssale J-M, Rowe P, et al., 2022, Accelerating the prediction of large carbon clusters via structure search: Evaluation of machine-learning and classical potentials, Carbon, Vol:191, ISSN:0008-6223, Pages:255-266
Ujjain SK, Bagusetty A, Matsuda Y, et al., 2021, Adsorption separation of heavier isotope gases in subnanometer carbon pores, Nature Communications, Vol:12, ISSN:2041-1723, Pages:1-9
de Tomas C, Aghajamali A, Jones JL, et al., 2019, Transferability in interatomic potentials for carbon, Carbon, Vol:155, ISSN:0008-6223, Pages:624-634
Martin JW, de Tomas C, Suarez-Martinez I, et al., 2019, Topology of Disordered 3D Graphene Networks, Physical Review Letters, Vol:123, ISSN:0031-9007
de Tomas C, Suarez-Martinez I, Vallejos-Burgos F, et al., 2017, Structural prediction of graphitization and porosity in carbide-derived carbons, Carbon, Vol:119, ISSN:0008-6223, Pages:1-9