F
Feng Wang Data-verified
Affiliation confirmed via AI analysis of OpenAlex, ORCID, and web sources.
Federal Grant PI
High Impact
Associate Professor
faculty
29 h-index
144 pubs
3,415 cited
Research Areas
Links
Biography and Research Information
OverviewAI-generated summary
Feng Wang's research focuses on the development and application of computational methods, particularly molecular dynamics simulations and quantum mechanical calculations, to study the behavior of molecules and materials. His work often involves investigating the properties of water and its interactions with various chemical species, including peptides and alcohols. Wang has explored the accuracy of different theoretical approaches, such as density functional theory (DFT) functionals and basis sets, for predicting molecular conformations and energies.
His federally funded projects include work on developing efficient and accurate force fields for computer-aided drug design, supported by a grant from the NIH/National Institute of General Medical Sciences ($294,607). Another NSF-funded project focuses on extending the time and length scales accessible to electronic structure methods through force matching ($440,500). Wang has published on topics ranging from the hydration free energies of small molecules to the structural evolution of nanocatalysts and the thermal expansion of graphene. His scholarship metrics include an h-index of 29, with 144 total publications and 3,367 total citations.
Metrics
- h-index: 29
- Publications: 144
- Citations: 3,415
Selected Publications
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Synthesis and Characterization of Copper Nanoparticles: A Laboratory Experiment for Undergraduate Physical Chemistry (2025)
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An Adaptive Force Matching Potential for Alanine Developed with Møller–Plesset Perturbation Theory and Smooth Fourier Transform Correction Map (2025)
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Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway (2024)
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Revealing Structural Evolution of Nickel Phosphide-Iron Oxide Core–Shell Nanocatalysts in Alkaline Medium for the Oxygen Evolution Reaction (2024)
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Simulation of Linear and Cyclic Alkanes with Second-Order Møller–Plesset Perturbation Theory through Adaptive Force Matching (2024)
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Water Potential from Adaptive Force Matching for Ice and Liquid with Revised Dispersion Predicts Supercooled Liquid Anomalies in Good Agreement with Two Independent Experimental Fits (2024)
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Simulating a flexible water model as rigid: Best practices and lessons learned (2023)
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Dipole Cooperativity and Polarization Frustration Determine the Secondary Structure Distribution of Short Alanine Peptides in Water (2023)
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Fragmentation Method for Computing Quantum Mechanics and Molecular Mechanics Gradients for Force Matching: Validation with Hydration Free Energy Predictions Using Adaptive Force Matching (2022)
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Performing Molecular Dynamics Simulations and Computing Hydration Free Energies on the B3LYP-D3(BJ) Potential Energy Surface with Adaptive Force Matching: A Benchmark Study with Seven Alcohols and One Amine (2021)
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A comparison of three DFT exchange–correlation functionals and two basis sets for the prediction of the conformation distribution of hydrated polyglycine (2021)
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Real-Time Imaging of Laser-Induced Nanowelding of Silver Nanoparticles in Solution (2021)
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Determining the hydration free energies of selected small molecules with MP2 and local MP2 through adaptive force matching (2021)
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Study of Thermal Expansion Coefficient of Graphene via Raman Micro‐Spectroscopy: Revisited (2021)
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Development and Validation of a DFT-Based Force Field for a Hydrated Homoalanine Polypeptide (2021)
Federal Grants 2 $735,107 total
NIH/National Institute of General Medical Sciences
Contact PI
Jan 2017 - Dec 2023
Efficient and Accurate Force Fields for Computer-Aided Drug Design
NSF
PI
Mar 2023 - Feb 2027
Extending the Time and Length Scale of Electronic Structure Methods Through Force Matching
Collaboration Network
Top Collaborators
Ying Yuan
University of Arkansas at Fayetteville (US)
6 shared publications
- A comparison of three DFT exchange–correlation functionals and two basis sets for the prediction of the conformation distribution of hydrated polyglycine
- Development and Validation of a DFT-Based Force Field for a Hydrated Homoalanine Polypeptide
- Dipole Cooperativity and Polarization Frustration Determine the Secondary Structure Distribution of Short Alanine Peptides in Water
- Fragmentation Method for Computing Quantum Mechanics and Molecular Mechanics Gradients for Force Matching: Validation with Hydration Free Energy Predictions Using Adaptive Force Matching
- Determining the hydration free energies of selected small molecules with MP2 and local MP2 through adaptive force matching
Showing 5 of 6 shared publications
Jingyi Chen
University of Arkansas at Fayetteville
5 shared publications
In database
- Revealing Structural Evolution of Nickel Phosphide-Iron Oxide Core–Shell Nanocatalysts in Alkaline Medium for the Oxygen Evolution Reaction
- Real-Time Imaging of Laser-Induced Nanowelding of Silver Nanoparticles in Solution
- Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway
- Carbon Monoxide-Assisted Synthesis of Nickel Cobalt Phosphide Nanorods for the Hydrogen Evolution Reaction
- Synthesis and Characterization of Copper Nanoparticles: A Laboratory Experiment for Undergraduate Physical Chemistry
Dong Zheng
University of Arkansas at Fayetteville (US)
3 shared publications
- Performing Molecular Dynamics Simulations and Computing Hydration Free Energies on the B3LYP-D3(BJ) Potential Energy Surface with Adaptive Force Matching: A Benchmark Study with Seven Alcohols and One Amine
- Fragmentation Method for Computing Quantum Mechanics and Molecular Mechanics Gradients for Force Matching: Validation with Hydration Free Energy Predictions Using Adaptive Force Matching
- Determining the hydration free energies of selected small molecules with MP2 and local MP2 through adaptive force matching
Raymond Weldon
University of Arkansas at Fayetteville
3 shared publications
In database
- Water Potential from Adaptive Force Matching for Ice and Liquid with Revised Dispersion Predicts Supercooled Liquid Anomalies in Good Agreement with Two Independent Experimental Fits
- Simulating a flexible water model as rigid: Best practices and lessons learned
- Exploring the promise and limitations of point-charge-free potentials for hydrocarbon modeling
Yimei Zhu
3 shared publications
- Revealing Structural Evolution of Nickel Phosphide-Iron Oxide Core–Shell Nanocatalysts in Alkaline Medium for the Oxygen Evolution Reaction
- Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway
- Carbon Monoxide-Assisted Synthesis of Nickel Cobalt Phosphide Nanorods for the Hydrogen Evolution Reaction
S. M. York
University of Arkansas at Fayetteville
3 shared publications
In database
- Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway
- Carbon Monoxide-Assisted Synthesis of Nickel Cobalt Phosphide Nanorods for the Hydrogen Evolution Reaction
- Synthesis and Characterization of Copper Nanoparticles: A Laboratory Experiment for Undergraduate Physical Chemistry
Xianbo Liu
China Academy of Engineering Physics (CN)
2 shared publications
- Density functional theory study of the reaction mechanism of aluminum nitride synthesis by sol–gel method
- Density functional theory studies on the reaction mechanism of alumina synthesis with a new sol-gel routine
Hongjie Bai
Shanghai Police College (CN)
2 shared publications
- Density functional theory study of the reaction mechanism of aluminum nitride synthesis by sol–gel method
- Density functional theory studies on the reaction mechanism of alumina synthesis with a new sol-gel routine
Zhengshang Wang
Sichuan Research Center of New Materials (CN)
2 shared publications
- Density functional theory study of the reaction mechanism of aluminum nitride synthesis by sol–gel method
- Density functional theory studies on the reaction mechanism of alumina synthesis with a new sol-gel routine
Wen Cui
Sichuan Research Center of New Materials (CN)
2 shared publications
- Density functional theory study of the reaction mechanism of aluminum nitride synthesis by sol–gel method
- Density functional theory studies on the reaction mechanism of alumina synthesis with a new sol-gel routine
Hang Chen
Chongqing Jiaotong University (CN)
2 shared publications
- Density functional theory study of the reaction mechanism of aluminum nitride synthesis by sol–gel method
- Density functional theory studies on the reaction mechanism of alumina synthesis with a new sol-gel routine
Xudong Cui
China Academy of Engineering Physics (CN)
2 shared publications
- Density functional theory study of the reaction mechanism of aluminum nitride synthesis by sol–gel method
- Density functional theory studies on the reaction mechanism of alumina synthesis with a new sol-gel routine
Adam S. Hoffman
SLAC National Accelerator Laboratory (US)
2 shared publications
- Revealing Structural Evolution of Nickel Phosphide-Iron Oxide Core–Shell Nanocatalysts in Alkaline Medium for the Oxygen Evolution Reaction
- Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway
Simon R. Bare
Stanford Synchrotron Radiation Lightsource (US)
2 shared publications
- Revealing Structural Evolution of Nickel Phosphide-Iron Oxide Core–Shell Nanocatalysts in Alkaline Medium for the Oxygen Evolution Reaction
- Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway
Zachary R. Mansley
2 shared publications
- Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway
- Carbon Monoxide-Assisted Synthesis of Nickel Cobalt Phosphide Nanorods for the Hydrogen Evolution Reaction
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