no code implementations • 25 Apr 2024 • Daniele Angioletti, Stefano Raniolo, Vittorio Limongelli
Molecular simulations have assumed a paramount role in the fields of chemistry, biology, and material sciences, being able to capture the intricate dynamic properties of systems.
no code implementations • 6 May 2022 • Sajjad Heydari, Stefano Raniolo, Lorenzo Livi, Vittorio Limongelli
Predicting structural and energetic properties of a molecular system is one of the fundamental tasks in molecular simulations, and it has use cases in chemistry, biology, and medicine.