2 papers
physics.chem-ph2025
GridFF: Efficient Simulation of Organic Molecules on Rigid Substrates
Indranil Mal, Milan KoÄÃ, Paolo Nicolini +1
We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-…
cond-mat.mes-hall2025
Negative differential conductance in triangular molecular assemblies
Chao Li, Vladislav Pokorný, Prokop Hapala +7
We report the creation and characterization of a molecular-scale negative differential conductance (NDC) device by assembling a triangular trimer of 4,5,9,10-tetrabromo-1,3,6,8-tet…