TCBioSys, 2021 SGR 00487

PROJECT OVERVIEW

TCBioSys, 2021 SGR 00487
Theoretical Chemistry of Biosystems (TCBioSys)
Total: 60,000€. Period: 2022-2024

PROJECT DETAILS
  • RESEARCH YEAR 2022-2024
  • Funding 60,000€

ABSTRACT

The TCBioSys group focuses on biological and bio-inspired systems with Nature as the main source of inspiration. These systems are studied through a myriad of different computational chemistry tools, most of them being developed by the research teams of TCBioSys group. These involve classical molecular dynamics (MD) and enhanced sampling techniques, quantum-chemistry calculations in different forms, multilevel QM/MM calculations, development of wavefunction analysis tools and machine learning (ML) techniques.