Huai Sun
Orcid: 0000-0002-0783-8194
According to our database1,
Huai Sun
authored at least 11 papers
between 2004 and 2023.
Collaborative distances:
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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
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
J. Chem. Inf. Model., 2021
2019
Purple Dragons and Yellow Toadstools a Versatile Exercise for Introducing Students to Negotiated Consensus.
Sci. Eng. Ethics, 2019
Extracting the mechanisms and kinetic models of complex reactions from atomistic simulation data.
J. Comput. Chem., 2019
2018
Predicting Thermodynamic Properties of Alkanes by High-Throughput Force Field Simulation and Machine Learning.
J. Chem. Inf. Model., 2018
2017
A Coarse-Grained Force Field Parameterized for MgCl<sub>2</sub> and CaCl<sub>2</sub> Aqueous Solutions.
J. Chem. Inf. Model., July, 2017
Free Energy-Based Coarse-Grained Force Field for Binary Mixtures of Hydrocarbons, Nitrogen, Oxygen, and Carbon Dioxide.
J. Chem. Inf. Model., 2017
2016
J. Comput. Chem., 2016
2011
Electronic ground states and vibrational frequency shifts of diatomic ligands in heme adducts.
J. Comput. Chem., 2011
2004
Development and validation of COMPASS force field parameters for molecules with aliphatic azide chains.
J. Comput. Chem., 2004