749 citations · 3.9k across the 110 of their papers we have counts for
14 papers · 1 filter
Up to 100 Faster Data-free Knowledge Distillation
Gongfan Fang, Kanya Mo, Xinchao Wang +4
Data-free knowledge distillation (DFKD) has recently been attracting increasing attention from research communities, attributed to its capability to compress a model only using syn…
Peptide Isomerization is Suppressed at the Air-Water Interface
Aditya N. Singh, David T. Limmer
We use molecular dynamics simulations to study the thermodynamics and kinetics of alanine dipeptide isomerization at the air-water interface. Thermodynamically, we find an affinity…
Learning intermolecular forces at liquid-vapor interfaces
Samuel P. Niblett, Mirza Galib, David T. Limmer
By adopting a perspective informed by contemporary liquid state theory, we consider how to train an artificial neural network potential to describe inhomogeneous, disordered system…
Note: Nonuniqueness of generalized quantum master equations for a single observable
Nathan Ng, David T. Limmer, Eran Rabani
When deriving exact generalized master equations for the evolution of a reduced set of degrees of freedom, one is free to choose what quantities are relevant by specifying projecti…
Direct evaluation of rare events in active matter from variational path sampling
Avishek Das, Benjamin Kuznets-Speck, David T. Limmer
Active matter represents a broad class of systems that evolve far from equilibrium due to the local injection of energy. Like their passive analogues, transformations between disti…
The origin of chirality induced spin selectivity in photo-induced electron transfer
Thomas P. Fay, David T. Limmer
Here we propose a mechanism by which spin polarization can be generated dynamically in chiral molecular systems undergoing photo-induced electron transfer. The proposed mechanism e…