3 papers
cond-mat.mtrl-sci2024
Machine learning classification of local environments in molecular crystals
Daisuke Kuroshima, Michael Kilgour, Mark E. Tuckerman +1
Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to charac…
physics.bio-ph2022
Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning
Siba Moussa, Michael Kilgour, Clara Jans +4
Inverse design of short single-stranded RNA and DNA sequences (aptamers) is the task of finding sequences that satisfy a set of desired criteria. Relevant criteria may be, for exam…
cond-mat.mes-hall2021
Electronic Conduction Through Monolayer Amorphous Carbon Nano-Junctions
Nicolas Gastellu, Michael Kilgour, Lena Simine
In molecular electronic conduction, exotic lattice morphologies often give rise to exotic behaviors. Among 2D systems, graphene is a notable example. Recently, a stable amorphous v…