
Javier Hernández Rojas
Professor · Theoretical Chemistry
Institute of Astrophysics of Canary IslandsAbout
Prof. Javier Hernández Rojas is a Professor at the Department of Physics and IUdEA, University of La Laguna, Spain. His research focuses on theoretical models and numerical simulations of atomic, molecular, and magnetic colloid aggregates, with emphasis on biophysical systems like viral capsid self-assembly. He has developed potential energy surfaces (PES) for diverse interacting systems, including carbon-based clusters, noble gases, and polycyclic aromatic hydrocarbons (PAHs), employing advanced simulation techniques such as Basin-Hopping (BH), Parallel Tempering Monte Carlo (PTMC), Molecular Dynamics (MD), and Brownian Dynamics (BD).
His work investigates structural, dynamic, and thermodynamic properties of carbon-based molecular clusters (e.g., coronene, circumcoronene, pyrene, adamantane) using coarse-grained models and all-atom descriptions. He has also studied quantum effects in noble gas-PAH interactions through semiclassical approaches, incorporating zero-point energy and quantum thermal baths. His research bridges computational methods with experimental systems in nanotechnology and biophysics.
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