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Author

Lena Simine

Observed name: Simine, Lena
Institution: McGill University
ORCID: 0000-0002-8188-0550
Observed ORCID: 0000-0002-8188-0550
OpenAlex ID: A5041358091
Electronic noise due to temperature differences in atomic-scale junctions
2018 · Ofir Shein Lumbroso, Lena Simine, et al. · Nature · 100
Vibrational cooling, heating, and instability in molecular conducting junctions: full counting statistics analysis
2012 · Lena Simine, Dvira Segal · Physical Chemistry Chemical Physics · 90
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The amorphous state as a frontier in computational materials design
2024 · Yuanbin Liu, Ata Madanchi, et al. · Nature Reviews Materials · 75
In situ optical spectroscopy of crystallization: One crystal nucleation at a time
2022 · Oscar Urquidi, Johanna Brazard, et al. · Proceedings of the National Academy of Sciences · 72
Direct observation of backbone planarization via side-chain alignment in single bulky-substituted polythiophenes
2018 · Dominic Raithel, Lena Simine, et al. · Proceedings of the National Academy of Sciences · 57
Predicting optical spectra for optoelectronic polymers using coarse-grained models and recurrent neural networks
2020 · Lena Simine, Thomas C. Allen, et al. · Proceedings of the National Academy of Sciences · 46
Is the Future of Materials Amorphous? Challenges and Opportunities in Simulations of Amorphous Materials
2024 · Ata Madanchi, Emna Azek, et al. · ACS Physical Chemistry Au · 37
Biological Sequence Design with GFlowNets
2022 · Jain, Moksh, Bengio, Emmanuel, et al. · arXiv (Cornell University) · 37
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Relating Chromophoric and Structural Disorder in Conjugated Polymers
2017 · Lena Simine, Peter J. Rossky · The Journal of Physical Chemistry Letters · 37
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Truncations and in silico docking to enhance the analytical response of aptamer-based biosensors
2024 · Minh-Dat Nguyen, Meghan T. Osborne, et al. · Biosensors and Bioelectronics · 33
Can the Seebeck Coefficient Identify Quantum Interference in Molecular Conduction?
2015 · Lena Simine, Wei Jia Chen, et al. · The Journal of Physical Chemistry C · 24
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Generating Multiscale Amorphous Molecular Structures Using Deep Learning: A Study in 2D
2020 · Michael Kilgour, Nicolas Gastellu, et al. · The Journal of Physical Chemistry Letters · 20
E2EDNA: Simulation Protocol for DNA Aptamers with Ligands
2021 · Michael Kilgour, Tao Liu, et al. · Journal of Chemical Information and Modeling · 16
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Fluorescent Proteins Detect Host Structural Rearrangements via Electrostatic Mechanism
2018 · Lena Simine, Heiko Lammert, et al. · Journal of the American Chemical Society · 15
Nanometals templated by tobacco mosaic virus coat protein with enhanced catalytic activity
2021 · Yani Pan, Amy Szuchmacher Blum, et al. · Applied Catalysis B: Environmental · 14
Simulations of disordered matter in 3D with the morphological autoregressive protocol (MAP) and convolutional neural networks
2024 · Ata Madanchi, Michael Kilgour, et al. · The Journal of Chemical Physics · 10
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Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning
2022 · Siba Moussa, Michael Kilgour, et al. · The Journal of Physical Chemistry B · 10
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Optoelectronic Current through Unbiased Monolayer Amorphous Carbon Nanojunctions
2022 · Antonio J. Garzón-Ramírez, Nicolas Gastellu, et al. · The Journal of Physical Chemistry Letters · 7
Electronic Conduction through Monolayer Amorphous Carbon Nanojunctions
2022 · Nicolas Gastellu, Michael Kilgour, et al. · The Journal of Physical Chemistry Letters · 5
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Amodiaquine Nonspecifically Binds Double Stranded and Three‐Way Junction DNA Structures
2024 · Sladjana Slavkovic, Aron A. Shoara, et al. · ChemBioChem · 4
Inside the black box: A physical basis for the effectiveness of deep generative models of amorphous materials
2021 · Michael Kilgour, Lena Simine · Journal of Computational Physics · 4
Path-filtering in path-integral simulations of open quantum systems using GFlowNets
2024 · Jeremy Lackman-Mincoff, Moksh Jain, et al. · The Journal of Chemical Physics · 3
E2EDNA 2.0: Python Pipeline for Simulating DNA Aptamers with Ligands
2022 · Michael Kilgour, Tao Liu, et al. · The Journal of Open Source Software · 3
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Solving the Wigner equation with signed particle Monte Carlo for chemically relevant potentials
2021 · Yu Wang, Lena Simine · The Journal of Chemical Physics · 3
DeltaGzip: Computing Biopolymer–Ligand Binding Affinity via Kolmogorov Complexity and Lossless Compression
2024 · Tao Liu, Lena Simine · Journal of Chemical Information and Modeling · 2
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Works count: 42
Citation count: 725
H-index: 14
I10-index: 17
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