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Prediction of Atomization Energy Using Graph Kernel and Active Learning., and . CoRR, (2018)Multiscale Universal Interface: A Concurrent Framework for Coupling Heterogeneous Solvers, , , , and . Journal of Computational Physics, (Mar 7, 2015)Nonlinear Matrix Approximation with Radial Basis Function Components., and . CoRR, (2021)Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation., , , , , , and . CoRR, (2022)Energy-conserving dissipative particle dynamics with temperature-dependent properties., , , , and . J. Comput. Phys., (2014)Multiscale Universal Interface: A Concurrent Framework for Coupling Heterogeneous Solvers., , , , and . CoRR, (2014)Learning stochastic dynamics with statistics-informed neural network., , and . J. Comput. Phys., (February 2023)An Atomistic Fingerprint Algorithm for Learning Ab Initio Molecular Force Fields., , and . CoRR, (2017)A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamics., , , , , , , , , and . Comput. Phys. Commun., (2020)GPU-accelerated red blood cells simulations with transport dissipative particle dynamics., , , , and . Comput. Phys. Commun., (2017)