65 citations · 65 across the 1 of their papers we have counts for
2 papers
q-bio.BM2024★ 65 cited
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
cond-mat.mes-hall2018
Sub-picosecond molecular dynamics modulate the energies of spin states for hundreds of nanoseconds
Lorena E. Rosaleny, Kirill Zinovjev, Iñaki Tuñón +1
Molecular vibrations are increasingly seen as a key factor for spin dynamics in single-ion magnets and molecular spin qubits. Herein we show how an inexpensive combination of molec…