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Michael Kilgour
Michael Kilgour
Подтвержден адрес электронной почты в домене nyu.edu
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Процитировано
Год
Biological sequence design with gflownets
M Jain, E Bengio, A Hernandez-Garcia, J Rector-Brooks, BFP Dossou, ...
International Conference on Machine Learning, 9786-9801, 2022
1012022
Charge transport in molecular junctions: From tunneling to hopping with the probe technique
M Kilgour, D Segal
The Journal of Chemical Physics 143 (2), 2015
652015
Coherence and decoherence in quantum absorption refrigerators
M Kilgour, D Segal
Physical Review E 98 (1), 012117, 2018
572018
Path-integral methodology and simulations of quantum thermal transport: Full counting statistics approach
M Kilgour, BK Agarwalla, D Segal
The Journal of Chemical Physics 150 (8), 2019
422019
Intermediate coherent–incoherent charge transport: DNA as a case study
H Kim, M Kilgour, D Segal
The Journal of Physical Chemistry C 120 (42), 23951-23962, 2016
312016
Inelastic effects in molecular transport junctions: The probe technique at high bias
M Kilgour, D Segal
The Journal of Chemical Physics 144 (12), 2016
282016
Thermopower of molecular junctions: Tunneling to hopping crossover in DNA
R Korol, M Kilgour, D Segal
The Journal of chemical physics 145 (22), 2016
272016
Tunneling diodes under environmental effects
M Kilgour, D Segal
The Journal of Physical Chemistry C 119 (45), 25291-25297, 2015
202015
ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker’s probes
R Korol, M Kilgour, D Segal
Computer Physics Communications 224, 396-404, 2018
152018
E2EDNA: Simulation Protocol for DNA Aptamers with Ligands
M Kilgour, T Liu, B Walker, P Ren, L Simine
102021
Generating multiscale amorphous molecular structures using deep learning: a study in 2D
M Kilgour, N Gastellu, DYT Hui, Y Bengio, L Simine
The Journal of Physical Chemistry Letters 11 (20), 8532-8537, 2020
92020
Geometric deep learning for molecular crystal structure prediction
M Kilgour, J Rogal, M Tuckerman
Journal of chemical theory and computation 19 (14), 4743-4756, 2023
82023
Diversifying design of nucleic acid aptamers using unsupervised machine learning
S Moussa, M Kilgour, C Jans, A Hernandez-Garcia, M Cuperlovic-Culf, ...
The Journal of Physical Chemistry B 127 (1), 62-68, 2022
22022
Electronic conduction through monolayer amorphous carbon nanojunctions
N Gastellu, M Kilgour, L Simine
The Journal of Physical Chemistry Letters 13 (1), 339-344, 2022
22022
Simulations of disordered matter in 3D with the morphological autoregressive protocol (MAP) and convolutional neural networks
A Madanchi, M Kilgour, F Zysk, TD Kühne, L Simine
The Journal of Chemical Physics 160 (2), 2024
12024
E2EDNA 2.0: Python Pipeline for Simulating DNA Aptamers with Ligands
M Kilgour, T Liu, IS Dementyev, L Simine
Journal of Open Source Software 7 (73), 4182, 2022
12022
Inside the black box: A physical basis for the effectiveness of deep generative models of amorphous materials
M Kilgour, L Simine
Journal of Computational Physics 452, 110885, 2022
12022
Machine learning classification of local environments in molecular crystals
D Kuroshima, M Kilgour, ME Tuckerman, J Rogal
arXiv preprint arXiv:2404.00155, 2024
2024
Theory of Charge and Heat Transport Mechanisms in Nanodevices
M Kilgour
University of Toronto (Canada), 2019
2019
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Статьи 1–19