105 citations · 118 across the 4 of their papers we have counts for
4 papers
Neural network based path collective variables for enhanced sampling of phase transformations
Jutta Rogal, Elia Schneider, Mark E. Tuckerman
We propose a rigorous construction of a 1D path collective variable to sample structural phase transformations in condensed matter. The path collective variable is defined in a spa…
Quantum Propagation of Electronic Excitations in Macromolecules: A Computationally Efficient Multi-Scale Approach
S. A Beccara, F. Mascherpa, E. Schneider +1
We introduce a theoretical approach to study the quantum-dissipative dynamics of electronic excitations in macromolecules, which enables to perform calculations in large systems an…
Long-Distance Quantum Transport Dynamics in Macromolecules
E. Schneider, P. Faccioli
Using renormalization group methods, we develop a rigorous coarse-grained representation of the dissipative dynamics of quantum excitations propagating inside open macromolecular s…
Dissipative Quantum Transport in Macromolecules: An Effective Field Theory Approach
E. Schneider, S. a Beccara, P. Faccioli
We introduce an atomistic approach to the dissipative quantum dynamics of charged or neutral excitations propagating through macromolecular systems. Using the Feynman-Vernon path i…