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

12:50 PM

(622b) Multi-Multimolecular Latent Space Simulations of DNA Hairpin-Duplex Competition

01:05 PM

(622c) Machine Learning-Enabled Prediction of Electronic Properties of Radical Polymers at Coarse-Grained Resolutions

01:20 PM

(622d) Machine Learning Guided Discovery of Polymer Membranes for Reducing Greenhouse Gas Emissions

02:00 PM

(622e) Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor

02:15 PM

(622f) Systematic Investigation of Training Protocols for Machine Learning Derived Interatomic Potentials

02:30 PM

(622g) Application of Machine Learning to Accelerate High-Throughput Molecular Dynamics Screening: A Study of Tribological Properties of Monolayer Films

02:45 PM

(622h) Detecting Transition Boundaries in Molecular Simulations