14 citations · 14 across the 3 of their papers we have counts for
3 papers
A scalable kinetic Monte Carlo platform enabling comprehensive simulations of charge transport dynamics in polymer-based memristive systems
Gerliz M. Gutiérrez-Finol, Kirill Zinovjev, Alejandro Gaita-Ariño +1
Polymer-assisted ion transport underpins both energy storage technologies and emerging neuromorphic computing devices. Efficient modeling of ion migration is essential for understa…
Free energy along drug-protein binding pathways interactively sampled in virtual reality
Helen M. Deeks, Kirill Zinovjev, Jonathan Barnoud +3
We describe a two-step approach for combining interactive molecular dynamics in virtual reality (iMD-VR) with free energy (FE) calculation to explore the dynamics of biological pro…
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…