Showing 1–15 of 15 results
/ Date/ Name
Mar 21, 2021Detecting Label Noise via Leave-One-Out Cross-ValidationNov 2, 2013Accelerating Dissipative Particle Dynamics Simulations on GPUs: Algorithms, Numerics and ApplicationsSep 26, 2017An Atomistic Fingerprint Algorithm for Learning Ab Initio Molecular Force FieldsJan 9, 2017OpenRBC: A Fast Simulator of Red Blood Cells at Protein ResolutionJun 15, 2021Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow BatteryNov 5, 2014Multiscale Universal Interface: A Concurrent Framework for Coupling Heterogeneous SolversJun 3, 2021Nonlinear Matrix Approximation with Radial Basis Function ComponentsApr 27, 2015Mesoscale modeling of phase transition dynamics of thermoresponsive polymersNov 18, 2016GPU-accelerated Red Blood Cells Simulations with Transport Dissipative Particle DynamicsOct 14, 2019A High-Throughput Solver for Marginalized Graph Kernels on GPUFeb 24, 2022Learning Stochastic Dynamics with Statistics-Informed Neural NetworkOct 16, 2018Prediction of Atomization Energy Using Graph Kernel and Active LearningMar 25, 2019A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamicsDec 27, 2016A dissipative particle dynamics method for arbitrarily complex geometriesSep 1, 2022Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation