Feng Wang
Affiliation confirmed via AI analysis of OpenAlex, ORCID, and web sources.
Associate Professor
Also affiliated: Kunming University of Science and Technology (2013); Boston University (2008–2012); Shanghai University (2022); Tufts University (2010); Beijing Institute of Technology (2008–2014); University of Minnesota (2015); Shenyang Institute of Automation (2017); University of California, Santa Barbara (2005); University of Pittsburgh (2001–2004); National University of Defense Technology (2009–2020); Northwestern Polytechnical University (2001–2020); Chinese Academy of Sciences (2017); University of Utah (2005–2018); China Academy of Engineering Physics (2020–2024); University of Oxford (2018); Anhui Xinhua University (2024); Laser Fusion Research Center (2020); State Key Laboratory of Solidification Processing (2001); Chongqing Jiaotong University (2024–2025); University of Newcastle Australia (1992)
Research Areas
Biomedical Subjects
Links
Biography and Research Information
OverviewAI-generated summary
Feng Wang's research program investigates the fundamental physical and chemical processes governing molecular systems, with a particular focus on solvation, transport, and electronic structure. His work utilizes computational modeling and simulation techniques, including molecular dynamics and quantum mechanics/molecular mechanics (QM/MM) methods, to study phenomena such as aqueous proton solvation and transport, and the development of accurate force fields for computational drug design. He has received federal funding for two projects: one from the National Institutes of Health (NIH) for developing efficient and accurate force fields for computer-aided drug design, totaling $285,585, and another from the National Science Foundation (NSF) for extending the time and length scales of electronic structure methods through force matching, totaling $440,500.
His publications include studies on theoretical aspects of dipole-bound anions, enhanced Raman scattering and photothermal conversion properties of gold nanoparticle-coated carbon nanotube rings for theranostic applications, and self-assembled responsive bilayered vesicles for cancer imaging and therapy. Wang also investigates excess proton solvation and delocalization in polymer membranes like Nafion and develops advanced computational methods, such as a linear-scaling self-consistent generalization of the multistate empirical valence bond method for multiple excess protons and adaptive optimization for heterogeneous CPU/GPU computing.
With a career h-index of 30 and over 148 publications, Wang has a significant citation record. He collaborates with researchers at the University of Arkansas at Fayetteville, including S. M. York and Raymond Weldon, with whom he has co-authored multiple publications. His research interests bridge computational chemistry, materials science, and biomedical applications.
Metrics
- h-index: 30
- Publications: 142
- Citations: 3,515
Positions
-
Associate Professor 2012–presentUniversity of Arkansas Fayetteville Chemistry and Biochemistry ORCID
-
Assistant Professor 2005–2012Boston University Chemistry ORCID
-
Post Doctoral Studies Computational Physical Chemistry 2003–2005University of Utah ORCID
Selected Publications
-
Predicting solubility of molecular liquids using first principles and adaptive force matching (2026)
-
Predicting Properties of Key Ingredients of Battery Solvents with Density Functional Theory and Adaptive Force Matching (2026)
-
Predicting Properties of Cyclohexene with Electronic Structure Methods through Adaptive Force Matching (2026)
-
Synthesis and Characterization of Copper Nanoparticles: A Laboratory Experiment for Undergraduate Physical Chemistry (2025)
-
An Adaptive Force Matching Potential for Alanine Developed with Møller–Plesset Perturbation Theory and Smooth Fourier Transform Correction Map (2025)
-
Exploring the promise and limitations of point-charge-free potentials for hydrocarbon modeling (2025)
-
Carbon Monoxide-Assisted Synthesis of Nickel Cobalt Phosphide Nanorods for the Hydrogen Evolution Reaction (2025)
-
Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway (2024)
-
Revealing Structural Evolution of Nickel Phosphide-Iron Oxide Core–Shell Nanocatalysts in Alkaline Medium for the Oxygen Evolution Reaction (2024)
-
Simulation of Linear and Cyclic Alkanes with Second-Order Møller–Plesset Perturbation Theory through Adaptive Force Matching (2024)
-
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)
-
Simulating a flexible water model as rigid: Best practices and lessons learned (2023)
-
Dipole Cooperativity and Polarization Frustration Determine the Secondary Structure Distribution of Short Alanine Peptides in Water (2023)
-
Fragmentation Method for Computing Quantum Mechanics and Molecular Mechanics Gradients for Force Matching: Validation with Hydration Free Energy Predictions Using Adaptive Force Matching (2022)
-
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)
Federal Grants 2 $726,358 total
Efficient and Accurate Force Fields for Computer-Aided Drug Design
Extending the Time and Length Scale of Electronic Structure Methods Through Force Matching
Collaboration Network
Top Collaborators
- Gold Nanoparticle Coated Carbon Nanotube Ring with Enhanced Raman Scattering and Photothermal Conversion Property for Theranostic Applications
- Self-Assembled Responsive Bilayered Vesicles with Adjustable Oxidative Stress for Enhanced Cancer Imaging and Therapy
- Synthesis of Copper–Silica Core–Shell Nanostructures with Sharp and Stable Localized Surface Plasmon Resonance
- Rapid determination of plasmonic nanoparticle agglomeration status in blood
- Revealing Structural Evolution of Nickel Phosphide-Iron Oxide Core–Shell Nanocatalysts in Alkaline Medium for the Oxygen Evolution Reaction
Showing 5 of 11 shared publications
- Liquid–liquid transition in supercooled water suggested by microsecond simulations
- Pairwise-additive force fields for selected aqueous monovalent ions from adaptive force matching
- Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental References
- Water graphene contact surface investigated by pairwise potentials from force-matching PAW-PBE with dispersion correction
- Continuous and Discontinuous Dynamic Crossover in Supercooled Water in Computer Simulations
Showing 5 of 11 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
- Determining the hydration free energies of selected small molecules with MP2 and local MP2 through adaptive force matching
- Leveraging local MP2 to reduce basis set superposition errors: An efficient first-principles based force-field for carbon dioxide
Showing 5 of 8 shared publications
- Synthesis of Copper–Silica Core–Shell Nanostructures with Sharp and Stable Localized Surface Plasmon Resonance
- Revealing Structural Evolution of Nickel Phosphide-Iron Oxide Core–Shell Nanocatalysts in Alkaline Medium for the Oxygen Evolution Reaction
- Mask-Assisted Seeded Growth of Segmented Metallic Heteronanostructures
- Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway
- A Metal-on-Metal Growth Approach to Metal–Metal Oxide Core–Shell Nanostructures with Plasmonic Properties
Showing 5 of 6 shared publications
- 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
- Predicting Properties of Cyclohexene with Electronic Structure Methods through Adaptive Force Matching
- Predicting Properties of Key Ingredients of Battery Solvents with Density Functional Theory and Adaptive Force Matching
Showing 5 of 6 shared publications
- Development and Validation of a DFT-Based Force Field for a Hydrated Homoalanine Polypeptide
- On the Transferability of Three Water Models Developed by Adaptive Force Matching
- Continuous and Discontinuous Dynamic Crossover in Supercooled Water in Computer Simulations
- Leveraging local MP2 to reduce basis set superposition errors: An efficient first-principles based force-field for carbon dioxide
- Possible Evidence for a New Form of Liquid Buried in the Surface Tension of Supercooled Water
- Accurate MP2-based force fields predict hydration free energies for simple alkanes and alcohols in good agreement with experiments
- Performing the Millikan experiment at the molecular scale: Determination of atomic Millikan-Thomson charges by computationally measuring atomic forces
- Comparing Alchemical Free Energy Estimates to Experimental Values Based on the Ben-Naim Formula: How Much Agreement Can We Expect?
- The liquid-vapor equilibria of TIP4P/2005 and BLYPSP-4F water models determined through direct simulations of the liquid-vapor interface
- On the Transferability of Three Water Models Developed by Adaptive Force Matching
- From a Liquid to a Crystal without Going through a First-Order Phase Transition: Determining the Free Energy of Melting with Glassy Intermediates
- Synthesis of Copper–Silica Core–Shell Nanostructures with Sharp and Stable Localized Surface Plasmon Resonance
- Mask-Assisted Seeded Growth of Segmented Metallic Heteronanostructures
- A Metal-on-Metal Growth Approach to Metal–Metal Oxide Core–Shell Nanostructures with Plasmonic Properties
- Synthesis of Copper–Silica Core–Shell Nanostructures with Sharp and Stable Localized Surface Plasmon Resonance
- Mask-Assisted Seeded Growth of Segmented Metallic Heteronanostructures
- A Metal-on-Metal Growth Approach to Metal–Metal Oxide Core–Shell Nanostructures with Plasmonic Properties
- Stable Salt–Water Cluster Structures Reflect the Delicate Competition between Ion–Water and Water–Water Interactions
- The strengths and limitations of effective centroid force models explored by studying isotopic effects in liquid water
- From a Liquid to a Crystal without Going through a First-Order Phase Transition: Determining the Free Energy of Melting with Glassy Intermediates
- A molecular dynamics investigation of the surface tension of water nanodroplets and a new technique for local pressure determination through density correlation
- Possible Evidence for a New Form of Liquid Buried in the Surface Tension of Supercooled Water
- On approximating a weak Markovian process as Markovian: Are we justified when discarding longtime correlations
- 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
- Determining the hydration free energies of selected small molecules with MP2 and local MP2 through adaptive force matching
- Fragmentation Method for Computing Quantum Mechanics and Molecular Mechanics Gradients for Force Matching: Validation with Hydration Free Energy Predictions Using Adaptive Force Matching
- Synthesis of Amorphous and Various Phase-Pure Nanoparticles of Nickel Phosphide with Uniform Sizes via a Trioctylphosphine-Mediated Pathway
- Synthesis and Characterization of Copper Nanoparticles: A Laboratory Experiment for Undergraduate Physical Chemistry
- Carbon Monoxide-Assisted Synthesis of Nickel Cobalt Phosphide Nanorods for the Hydrogen Evolution Reaction
- Raman spectroscopy of carbon nanohoops
- Raman-Active Modes of Even-Numbered Cycloparaphenylenes: Comparisons between Experiments and Density Functional Theory (DFT) Calculations with Group Theory Arguments
Similar Researchers
Based on overlapping research topics