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The Journal of Physical Chemistry Letters|March 29, 2017
Relating Chromophoric and Structural Disorder in Conjugated PolymersLena Simine, Peter J RosskyProceedings of the National Academy of Sciences of the United States of America|June 10, 2020
Predicting optical spectra for optoelectronic polymers using coarse-grained models and recurrent neural networksLena Simine, Thomas C Allen, Peter J RosskyJournal of the American Chemical Society|January 13, 2018
Fluorescent Proteins Detect Host Structural Rearrangements via Electrostatic MechanismLena Simine, Heiko Lammert, Li Sun, et al.The Journal of Chemical Physics|June 14, 2013
Path-integral simulations with fermionic and bosonic reservoirs: transport and dissipation in molecular electronic junctionsLena Simine, Dvira SegalThe Journal of Chemical Physics|March 22, 2023
Solving the Wigner equation for chemically relevant scenarios: Dynamics in 2DYu Wang, Lena SimineThe Journal of Chemical Physics|July 10, 2014
Electron transport in nanoscale junctions with local anharmonic modesLena Simine, Dvira SegalThe Journal of Chemical Physics|July 23, 2021
Solving the Wigner equation with signed particle Monte Carlo for chemically relevant potentialsYu Wang, Lena SiminePhysical Chemistry Chemical Physics : PCCP|July 25, 2012
Vibrational cooling, heating, and instability in molecular conducting junctions: full counting statistics analysisLena Simine, Dvira SegalJournal of Chemical Information and Modeling|July 9, 2024
DeltaGzip: Computing Biopolymer-Ligand Binding Affinity via Kolmogorov Complexity and Lossless CompressionTao Liu, Lena SimineThe Journal of Chemical Physics|February 20, 2026
MAPping dynamic heterogeneity in supercooled glass-formersAta Madanchi, Lena SiminePageof 11