Troy Loeffler
0000-0003-0244-1793
Sivananthan Laboratories (United States)
10 papers found
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Active and Transfer Learning of High-Dimensional Neural Network Potentials for Transition Metals
Correction to “Advancing Chemical Separations: Unraveling the Structure and Dynamics of Phase Splitting in Liquid–Liquid Extraction”
Advancing Chemical Separations: Unraveling the Structure and Dynamics of Phase Splitting in Liquid–Liquid Extraction
Multi-reward Reinforcement Learning Based Bond-Order Potential to Study Strain-Assisted Phase Transitions in Phosphorene
Learning with Delayed Rewards—A Case Study on Inverse Defect Design in 2D Materials
Active Learning the Potential Energy Landscape for Water Clusters from Sparse Training Data
Promoting Noncovalent Intermolecular Interactions Using a C60 Core Particle in Aqueous PC60s-Covered Colloids for Ultraefficient Photoinduced Particle Activity
Teaching an Old Dog New Tricks: Machine Learning an Improved TIP3P Potential Model for Liquid–Vapor Phase Phenomena
“Teamwork Makes the Dream Work”: Tribal Competition Evolutionary Search as a Surrogate for Free-Energy-Based Structural Predictions
Configurational-Bias Monte Carlo Back-Mapping Algorithm for Efficient and Rapid Conversion of Coarse-Grained Water Structures into Atomistic Models
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