Feng Wang

Feng Wang

Scharlau Endowed Professor & Professor, Physical Chemistry

(ARSC)-Arts & Sciences

(CHBC)-Chemistry & Biochemistry

Phone: 479-575-5625

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  • 5/2003 – 8/2005 Post-doctoral Study in Computational Physical Chemistry
    University of Utah
    Post-doctoral Advisor: Professor Gregory A. Voth
  • 9/2005 - 8/2012 Assistant Professor, Boston University, Department of Chemistry
  • 9/2012 - 8/2018 Associate Professor, University of Arkansas, Department of Chemistry and Biochemistry
  • 9/2018 - Professor, University of Arkansas, Department of Chemistry and Biochemistry

Ph.D., Theoretical Chemistry, University of Pittsburgh

B.S., Chemistry (Honors Science Program), Peking University


“Molecular scale processes affecting growth rates of ice at moderate supercooling”, Rui Wang, Limei Xu*, and Feng Wang*, Frontiers of Physics, 13, 138116, (2018)

“The strengths and limitations of effective centroid force models for calculating properties of liquid water”, Ying Yuan, Jicun Li, Xin-Zheng Li, Feng Wang*, J. Chem. Phys., 148, 184102, (2018)

“A molecular dynamics investigation of the surface tension of water nanodroplets and a new technique for local pressure determination through density correlation”, Kai-Yang Leong and Feng Wang*, J. Chem. Phys., 148, 144503, (2018)

“Evaluating hydrophobic galactonoamidines as transition state analogs for enzymatic ß-galactoside hydrolysis”, Jessica B. Pickens, Logan G. Mills, Feng Wang*, Susanne Striegler*, Bioorganic Chemistry, 77, 144, (2018)

“New Insights into Structure-Activity Relationship of Ipomoeassin F from Its Bioisosteric 5-Oxa/Aza Analogues”, Guanghui Zong, Xianwei Sun, Rima Bhakta, Lucas Whisenhunt, Zhijian Hu, Feng Wang and Wei Q. Shi*, Euro J. Med. Chem., 144, 571 (2017)

“Performing the Millikan experiment at the molecular scale: determination of atomic Millikan-Thomson charges by computationally measuring atomic forces”. T. Ryan Rogers and Feng Wang*, J. Chem. Phys., 147, 161726 (2017).

“Picomolar inhibition of beta-galactosidase (bovine liver) attributed to loop closure”, Jessica Pickens, Feng Wang, Susanne Striegler*, Bioorg Med Chem, 25, 5194 (2017)

“Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental References”, Jicun Li and Feng Wang*, J. Phys. Chem. B, 121, 6637, (2017)

“Self-Assembly of Semiconducting-Plasmonic Gold Nanoparticles with Enhanced Optical Property for Photoacoustic Imaging and Photothermal Therapy”, Zhen Yang, Jibin Song,* Yunlu Dai, Jingyi Chen, Feng Wang, Lisen Lin, Yijing Liu, Fuwu Zhang, Guocan Yu, Zijian Zhou, Wenpei Fan, Wei Huang, Quli Fan*, Xiaoyuan Chen*, Theranostics 7, 2177, (2017)

“Synthesis of Copper-Silica Core-Shell Nanostructures with Sharp and Stable Localized Surface Plasmon Resonance”, Cameron Crane, Feng Wang, Jun Li, Jing Tao, Yimei Zhu, Jingyi Chen*, J. Phys. Chem. C, 121, 5684, (2017)

“Graphene Contact Surface Investigated by Pairwise Potentials from Force-Matching PAW-PBE with Dispersion Correction”, Jicun Li and Feng Wang*, J. Chem. Phys. 146, 054702, (2017)

“Possible Evidence for a New Form of Liquid Buried in the Surface Tension of Supercooled Water”, T. Ryan Roger, Kai-Yang Leong and Feng Wang*, Scientific Reports, 6, 33284 (2016)

“The Effect of Core Correlation on the MP2 Hydration Free Energies of Li+, Na+, and K+”, Jicun Li and Feng Wang*, J. Phys. Chem. B, 120, 9088 (2016)

“Replacing Water Models without Influencing Solute Properties by Decoupling Water-water and Water-solute Interactions”, Jicun Li and Feng Wang*, J. Chem. Phys. 145, 044501 (2016)

“Gold Nanoparticle Coated Carbon Nanotube Ring with Enhanced Raman Scattering and Photothermal Conversion Property for Theranostic Applications”, Jibin Song, Feng Wang,  Xiangyu Yang, Bo Ning, Mary G. Harp, Stephen H. Culp, Song Hu, Peng Huang, Liming Nie, Jingyi Chen, Xiaoyuan Chen*, J. Am. Chem. Soc., 138, 7055 (2016)

“Pairwise-additive Force Fields for Selected Aqueous Monovalent Ions from Adaptive Force Matching”, Jicun Li and Feng Wang*, J. Chem. Phys., 143, 194505 (2015).

“Continuous and Discontinuous Dynamic Crossover in Supercooled Water in Computer Simulations”, Zhonghua Ma, Jicun Li and Feng Wang*, J. Phys. Chem. Lett., 6, 3170 (2015).

“The liquid-vapor equilibria of TIP4P/2005 and BLYPSP-4F water models determined through direct simulations of the liquid-vapor interface”, Hongyi Hu and Feng Wang*, J. Chem. Phys., 142, 214507 (2015).

“Rapid Determination of Plasmonic Nanoparticle Agglomeration Status in Blood”, Samir V. Jenkins, Haiou Qu, Thilak Mudalige, Taylor Ingle, RongRong Wang, Feng Wang, Paul C. Howard, Jingyi Chen, Yongbin Zhang*, Biomaterials, 51, 226 (2015).

“Raman-Active Modes of Even-Numbered Cycloparaphenylenes: Comparisons between Experiments and DFT Calculations with Group Theory Arguments”, Hang Chen*, Matthew Golder, Feng Wang, Stephen Doorn, Ramesh Jasti, Sergei Tretiak, Anna Swan, J. Phys. Chem. C, 119, 2879 (2015)

“Mask-Assisted Seeded Growth of Segmented Metallic Heteronanostructures", Cameron Crane, Jing Tao, Feng Wang, Yimei Zhu, Jingyi Chen*, J. Phys. Chem C, 118, 28134 (2014).

“On the transferability of three water models developed by adaptive force matching”, Hongyi Hu, Zhonghua Ma, and Feng Wang*, Annual Reports of Computational Chemistry, Vol. 10, 25-43 (2014)

“Graphene: A partially ordered non-periodic solid”, Dongshan Wei and Feng Wang*, J. Chem. Phys., 141, 144701 (2014)

“Stable Salt-water Cluster Structures Reflect the Delicate Competition Between Ion-water and Water-water Interactions”, Cheng-Wen Liu, Feng Wang, Lijiang Yang, Xin-Zheng Li, Wei-Jun Zheng*, and Yi Qin Gao*, J. Phys. Chem. B, 118, 743, (2014)

“Raman Spectroscopy of Carbon Nanohoops”, Hang Chen*, Matthew R. Golder, Feng Wang, Ramesh Jasti and Anna K. Swan*, Carbon, 67, 203 (2014)

“Liquid-liquid Transition in Supercooled Water Suggested by Microsecond Simulations”, Yaping Li, Jicun Li, and Feng Wang*, Proc. Nat. Aca. Sci., USA, 110, 12209, (2013).

“Accurate Ranking of CH4(H2O)20 Clusters with the Density Functional Theory Supplemental Potential Approach”, Yang Song and Feng Wang*, Theo. Chem. Acc., 132, 1324, (2013).

“Static Dielectric Constants and Molecular Dipole Distributions of Liquid Water and Ice-Ih investigated by the PAW-PBE exchange-correlation Functional”, Andrew Rusnak, Eric Pinnick, Camilo Calderon, and Feng Wang*, J. Chem. Phys., 137, 034510 (2012)

“Predicting the melting temperature of ice-Ih with only electronic structure information as input”, Eric Pinnick, Shyam Erramilli, and Feng Wang*, J. Chem. Phys., 137, 014501 (2012)

“Achieving fast convergence in ab initio free energy calculations through the adaptive force matching method”, Eric Pinnick, Andrew Rusnak, Camilo Calderon, and Feng Wang*, Theoretical Chemistry Accounts, 131, 1146 (2012).

“A simple molecular mechanics potential for µm scale grapheme simulations from the adaptive force matching method”, Dongshan Wei, Yang Song, and Feng Wang*, J. Chem. Phys., 134, 184704 (2011)

“The Quest for the Best Non-polarizable Force Field for Water from the Adaptive Force Matching Method”, Omololu Akin-ojo, and Feng Wang*, J. Comput. Chem., 32, 453, (2011)

“Correcting for dispersion interaction and beyond in density functional theory through force matching”, Yang Song, Omololu Akin-ojo and Feng Wang*, J. Chem. Phys., 133, 174115 (2010)

“Mimicking coarse-grained simulation without Coarse-graining, Enhanced Sampling through Short-range Damped Potential”, Dongshan Wei and Feng Wang*, J. Chem. Phys, 133, 084101 (2010).

“Optimizing the switching function for non-equilibrium free-energy calculations: An on-the-fly approach”, Gerrick Lindberg , Timothy Berkelbach, and Feng Wang*, J. Chem. Phys. 130, 174705, (2009

“Improving the point-charge description of hydrogen bonds by adaptive force matching”, Omololu Akin-Ojo and Feng Wang*., J. Phys. Chem. B., 113, 1237 (2009)

“Kinetic Monte Carlo Modeling of Chemical Reactions Coupled with Heat Transfer”, T. C. Castonguay and F. Wang*, J. Chem. Phys., 128, 124706 (2008)

“Developing ab initio quality force fields from condensed phase QM/MM calculations through the adaptive force matching method”, Omololu Akin-Ojo, Yang Song, and Feng Wang*, J. Chem. Phys. 129, 064108 (2008)

“Efficient sampling of ice structures by electrostatic switching.” G. Lindberg and F. Wang*, J. Phys. Chem. B. 112, 6436 (2008)

“Unusual “amphiphilic” association of hydrated protons in strong acid solution”, F. Wang, S. Izvekov, and G. A. Voth*, JACS, 130, 3120 (2008)

“A Linear-Scaling Self-consistent Generalization of the Multi-state Empirical Valence Bond Method for Multiple Excess Protons in Aqueous Systems”, F. Wang, and G. A. Voth*, J. Chem. Phys., 122, 144105 (2005)

"Parallel Tempering Monte-Carlo Simulations of the Finite Temperature Behavior of (H2O)6-" F. Wang and K. D. Jordan*, J. Chem. Phys., 119, 11645-11653 (2003)

"Theory of Dipole-bound Anions" K. D. Jordan*and F. Wang, Ann. Rev. Phys. Chem., 54, 367-396 (2003)

"Theoretical Calculations of Voltage-dependent STM Images of Acetylene on the Si(001) Surface" F. Wang, D. Sorescu and K. D. Jordan *, J. Phys. Chem. B, 106, 6, 1316-1321 (2002)

"Application of a Drude Model to the Binding of an Excess Electron to Small Water Clusters.", F. Wang, K. D. Jordan*, J. Chem. Phys., 116, 16, 6973-6981 (2002),

  • 2010 HP Outstanding Junior Faculty Award
  • 2007 NSF CAREER Award, NSF
  • 2002 Mellon Fellowship, University of Pittsburgh
  • 2001 IBM graduate student award in computational chemistry, Subdivision of Theoretical Chemistry, American Chemical Society
  • 1997 Young Eagle Scholarship, Peking University
  • 1994 Distinguished New Students Scholarship, Peking University