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Publications
Proceedings
2022 Annual Meeting
Computational Molecular Science and Engineering Forum
Machine Learning for Soft Materials I
2022 Annual Meeting
Session: Machine Learning for Soft Materials I
Chair
Webb, M.
Co-Chair
Jackson, N.
, UIUC
Presentations
12:35 PM
(622a) Inverse Design of Pore Wall Chemistry to Control Solute Transport through Molecular Simulation Coupled Optimization
Jiao, S.
,
Shell, M. S.
12:50 PM
(622b) Multi-Multimolecular Latent Space Simulations of DNA Hairpin-Duplex Competition
Jones, M.
,
Ferguson, A.
01:05 PM
(622c) Machine Learning-Enabled Prediction of Electronic Properties of Radical Polymers at Coarse-Grained Resolutions
Alessandri, R.
,
de Pablo, J. J.
01:20 PM
(622d) Machine Learning Guided Discovery of Polymer Membranes for Reducing Greenhouse Gas Emissions
Basdogan, Y.
,
Wang, Z. G.
02:00 PM
(622e) Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor
Zhang, Y.
,
Abranches, D.
,
Colón, Y.
,
Maginn, E.
02:15 PM
(622f) Systematic Investigation of Training Protocols for Machine Learning Derived Interatomic Potentials
Joshi, N.
,
Pfaendtner, J.
02:30 PM
(622g) Application of Machine Learning to Accelerate High-Throughput Molecular Dynamics Screening: A Study of Tribological Properties of Monolayer Films
Quach, C. D.
,
Gilmer, J.
,
Pert, D.
,
Mason-Hogans, A.
,
Cummings, P.
,
McCabe, C.
02:45 PM
(622h) Detecting Transition Boundaries in Molecular Simulations
Butler, B.
,
Glotzer, S. C.
,
Fijan, D.