Xiaoyu Wang
University of Notre Dame
H-index: 9
North America-United States
Top articles of Xiaoyu Wang
Structural Trends and Vibrational Analysis of N, N, N′, N′− Tetramethylmalonamide Complexes Across the Lanthanide Series
European Journal of Inorganic Chemistry
2024/2/21
Solvent effects on extractant conformational energetics in liquid–liquid extraction: a simulation study of molecular solvents and ionic liquids
Physical Chemistry Chemical Physics
2024
Using Metadynamics to Reveal Extractant Conformational Free Energy Landscapes
The Journal of Physical Chemistry B
2023/12/14
Xe Recovery from Nuclear Power Plants Off-Gas Streams: Molecular Simulations of Gas Permeation through DD3R Zeolite Membrane
Membranes
2023/8/30
Reinforcement learning based hybrid bond-order coarse-grained interatomic potentials for exploring mesoscale aggregation in liquid–liquid mixtures
The Journal of Chemical Physics
2023/7/14
Using molecular simulations to facilitate design and operation of membrane-based and chiral separation processes
Industrial & Engineering Chemistry Research
2022/7/7
Understanding Separation Mechanisms of Monoatomic Gases, Such as Kr and Xe, via DD3R Zeolite Membrane Using Molecular Dynamics
Thermo
2022/2/23
Influence of an N,N,N-Trimethyl-1-adamantyl Ammonium (TMAda+) Structure Directing Agent on Al Distributions and Pair Features in Chabazite Zeolite
Chemistry of Materials
2022/12/7
Generalization Aware Compression of Molecular Trajectories
2022/8/29
Novel methods to characterise spatial distribution and enantiomeric composition of usnic acids in four Icelandic lichens
Phytochemistry
2022/8/1
Lithium solvation and mobility in ionic liquid electrolytes with asymmetric sulfonyl-cyano anion
Journal of Chemical & Engineering Data
2022/7/19
Chiral monolithic silica-based HPLC columns for enantiomeric separation and determination: functionalization of chiral selector and recognition of selector-selectand interaction
2021/8/29
Molecular dynamics simulations of chiral recognition of drugs by amylose polymers coated on amorphous silica
Molecular Physics
2021/5/5
Molecular dynamics simulations of enantiomeric separations as an interfacial process in HPLC
2021/3
On using the anisotropy in the thermal resistance of solid–fluid interfaces to more effectively cool nano-electronics
Molecular Simulation
2020/1/22
Modeling enantiomeric separations as an interfacial process using amylose tris (3, 5-dimethylphenyl carbamate)(ADMPC) polymers coated on amorphous silica
Langmuir
2020/1/19
Using Computational Molecular Modeling to Study Transport Processes of Interest in Separations
2020
Interfacial Thermal Conductivity and Its Anisotropy
Processes
2020
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