Yu-Hang Tang

Orcid: 0000-0001-7424-5439

According to our database1, Yu-Hang Tang authored at least 21 papers between 2014 and 2023.

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Bibliography

2023
Efficient Exploration of Chemical Compound Space Using Active Learning for Prediction of Thermodynamic Properties of Alkane Molecules.
J. Chem. Inf. Model., November, 2023

Interpretable Molecular Property Predictions Using Marginalized Graph Kernels.
J. Chem. Inf. Model., August, 2023

Learning stochastic dynamics with statistics-informed neural network.
J. Comput. Phys., February, 2023

2022
Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation.
CoRR, 2022

2021
A Comparative Study of Marginalized Graph Kernel and Message-Passing Neural Network.
J. Chem. Inf. Model., 2021

Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery.
CoRR, 2021

Nonlinear Matrix Approximation with Radial Basis Function Components.
CoRR, 2021

Detecting Label Noise via Leave-One-Out Cross-Validation.
CoRR, 2021

2020
A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamics.
Comput. Phys. Commun., 2020

A High-Throughput Solver for Marginalized Graph Kernels on GPU.
Proceedings of the 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), 2020

2018
A dissipative particle dynamics method for arbitrarily complex geometries.
J. Comput. Phys., 2018

Prediction of Atomization Energy Using Graph Kernel and Active Learning.
CoRR, 2018

2017
GPU-accelerated red blood cells simulations with transport dissipative particle dynamics.
Comput. Phys. Commun., 2017

An Atomistic Fingerprint Algorithm for Learning Ab Initio Molecular Force Fields.
CoRR, 2017

OpenRBC: A Fast Simulator of Red Blood Cells at Protein Resolution.
CoRR, 2017

2016
Identifying micro-inversions using high-throughput sequencing reads.
BMC Genom., 2016

2015
Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers.
J. Comput. Phys., 2015

Mesoscale modeling of phase transition dynamics of thermoresponsive polymers.
CoRR, 2015

The in-silico lab-on-a-chip: petascale and high-throughput simulations of microfluidics at cell resolution.
Proceedings of the International Conference for High Performance Computing, 2015

2014
Energy-conserving dissipative particle dynamics with temperature-dependent properties.
J. Comput. Phys., 2014

Accelerating dissipative particle dynamics simulations on GPUs: Algorithms, numerics and applications.
Comput. Phys. Commun., 2014


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