Research on IFFLabhttps://ifflab.xyz/research/Recent content in Research on IFFLabHugoen-gbAdaptive String MethodMon, 01 Jan 0001 00:00:00 +0000Developing and application of adaptive string method for discovery of complex reaction mechanisms.Conformational equilibrium of perylenediimide aggregatesMon, 01 Jan 0001 00:00:00 +0000Developing a machine-learning-based force field for perylenediimide aggregates to reproduce their conformational equilibrium.Electrostatic embedding scheme for ML/MM potentialsMon, 01 Jan 0001 00:00:00 +0000Integrating machine-learned potentials into multiscale simulations via the EMLE electrostatic embedding approach.