2022 Annual Meeting

Session: Machine Learning for Soft Materials I

Chair

Co-Chair

Presentations

12:35 PM

(622a) Inverse Design of Pore Wall Chemistry to Control Solute Transport through Molecular Simulation Coupled Optimization
Sally Jiao, M. Scott Shell

12:50 PM

(622b) Multi-Multimolecular Latent Space Simulations of DNA Hairpin-Duplex Competition
Mike Jones, Andrew Ferguson

01:05 PM

(622c) Machine Learning-Enabled Prediction of Electronic Properties of Radical Polymers at Coarse-Grained Resolutions
Riccardo Alessandri, Juan J. de Pablo

01:20 PM

(622d) Machine Learning Guided Discovery of Polymer Membranes for Reducing Greenhouse Gas Emissions
Yasemin Basdogan, Zhen-Gang Wang

02:00 PM

(622e) Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor
Yong Zhang, Dinis Abranches, Yamil Colón, Edward Maginn

02:15 PM

(622f) Systematic Investigation of Training Protocols for Machine Learning Derived Interatomic Potentials
Nisarg Joshi, Jim Pfaendtner

02:30 PM

(622g) Application of Machine Learning to Accelerate High-Throughput Molecular Dynamics Screening: A Study of Tribological Properties of Monolayer Films
Co D. Quach, Justin Gilmer, Daniel Pert, Akanke Mason-Hogans, Peter Cummings, Clare McCabe

02:45 PM

(622h) Detecting Transition Boundaries in Molecular Simulations
Brandon Butler, Sharon C. Glotzer, Domagoj Fijan