Department of Chemistry and Biochemistry,
University
of Arkansas
CHEM 216, 345 N. Campus Dr., Fayetteville, AR 72701
(479) 575-5625 (office); (479) 575- 4049 (fax)
fengwang@uark.edu
May 1998 B.S. in Chemistry, Honors Science Program Peking University
April 2003 Ph.D. in Theoretical Chemistry University of Pittsburgh
Thesis: A Drude Model Approach to Dispersion Interactions in Dipole-bound Anions
Thesis Advisor: Professor Kenneth D. Jordan
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 - 7/2018 Associate Professor, University of Arkansas, Department of Chemistry and Biochemistry
8/2018 - present Professor, University of Arkansas, Department of Chemistry and Biochemistry
Awards and Honors
2010 HP Outstanding Junior Faculty Award
2007 NFS 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
Publications
79. “Simulating a flexible water model as rigid: best practices and lessons learned” Raymond Weldon and Feng Wang, J. Chem. Phys., 158, 134506 (2023)
78. “Dipole Cooperativity and Polarization Frustration Determine the Secondary Structure Distribution of Short Alanine Peptides in Water” Ying Yuan and Feng Wang, J. Phys. Chem. B, 127, 13, 3126 (2023) cover article
77. “Fragmentation Method for Computing Quantum Mechanics and Molecular Mechanics Gradients for Force Matching: Validation with Hydration Free Energy Predictions Using Adaptive Force Matching” Dong Zheng, Ying Yuan and Feng Wang, J. Phys. Chem. A 126, 2609 (2022)
76. “A comparison of three DFT-exchange correlation functionals and two basis sets for the prediction of the conformation distribution of hydrated polyglycine” Ying Yuan and Feng Wang, J. Chem. Phys. 155, 094104 (2021)
75. “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”, Dong Zheng and Feng Wang,* ACS Phys. Chem. Au, 1, 14 (2021)
74. “Real-Time Imaging of Laser-Induced Nanowelding of Silver Nanoparticles in Solution”, Ariel Rogers, Isabelle Niyonshuti, Alice Cai, Feng Wang, Mourad Benamara, Jingyi Chen, Yong Wang,* J. Phys. Chem. C., 125,19,10422 (2021)
73. “Determining the Hydration Free Energies of Selected Small Molecules with MP2 and Local MP2 Through Adaptive Force Matching”, Dong Zheng, Ying Yuan, and Feng Wang*, J. Chem. Phys.,154, 104113 (2021)
72. “Development and Validation of a DFT Based Force Field for a Hydrated Homoalanine Polypeptide”, Ying Yuan, Zhonghua Ma, and Feng Wang*, J. Phys. Chem. B, 125, 1568 (2021)
71. “Study of Thermal Expansion Coefficients of 2D Materials via Raman Micro-spectroscopy: Revisited”, Qianchi Feng, Dongshan Wei, Yudan Su, Zhiguang Zhou, Feng Wang*, Chuanshan Tian*, Small, 17, 2006146 (2021)
70. “Accurate MP2-based force fields predict hydration free energies for simple alkanes and alcohols in good agreement with experiments”, T. Ryan Rogers and Feng Wang*, J. Chem. Phys., 153, 244505 (2020)
69. “Altering the solubility of the antibiotic candidate Nisin – a computational study”, Preeti Pandey*, Ulrich Hansmann*, Feng Wang*, ACS Omega, 5, 24854 (2020)
68. “A Metal-on-Metal Growth Approach to Metal-Metal Oxide Core-Shell Nanostructures with Plasmonic Properties”, C. Crane, R. Manso, J. Li, M. Benamara, J. Tao, Y. Zhu, F. Wang, J. Chen*, J. Phys. Chem. C, 124, 31, 17191 (2020)
67. “Comparing Alchemical Free Energy Estimates to Experimental Values Based on the Ben-Naim Formula: How Much Agreement can we Expect?”, T. Ryan Rogers and Feng Wang*, J. Phys. Chem. B, 124, 5, 840-847 (2020)
66. “Leveraging Local MP2 to Reduce Basis Set Superposition Errors: an Efficient First-principles Based Force-field for Carbon Dioxide”, Ying Yuan, Zhonghua Ma, and Feng Wang*, J. Chem. Phys., 151, 184501 (2019)
65. “From a Liquid to a Crystal without Going through a First Order Phase Transition: Determining the Free Energy of Melting with Glassy Intermediates”, Lin Zhuang, Rui Wang, Gerrick Lindberg, Hongyi Hu, Xin-Zheng Li, Feng Wang*, J. Phys. Chem. B, 123, 7740 (2019)
64. “Surface Penetration without Enrichment: Simulations Show Ion Surface Propensities Consistent with Both Elevated Surface Tension and Surface Sensitive Spectroscopy”, Jicun Li and Feng Wang*, J. Phys. Chem. B, 123, 7197 (2019)
63.“Self-Assembled Responsive Bilayered Vesicles with Adjustable Oxidative Stress for Enhanced Cancer Imaging and Therapy”, Jibin Song, Lisen Lin, Zhen Yang, Rong Zhu, Zijian Zhou, Zhan-Wei Li, Feng Wang, Jingyi Chen, Huanghao Yang, and Xiaoyuan Chen*, J. Am. Chem. Soc. 141, 8158 (2019)
62. “On approximating a weak Markovian process as Markovian: are we justified when discarding longtime correlations”, Kai-Yang Leong, and Feng Wang*, J. Chem. Phys., 150, 058101, (2019)
61. "Molecular scale processes affecting growth rates of ice at moderate supercooling", Rui Wang, Limei Xu*, and Feng Wang*, Frontiers of Physics, 13, 138116, (2018)
60. "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)
59. "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)
58. "Evaluating hydrophobic galactonoamidines as transition state analogs for enzymatic β-galactoside hydrolysis", Jessica B. Pickens, Logan G. Mills, Feng Wang*, Susanne Striegler*, Bioorganic Chemistry, 77, 144, (2018)
57. "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)
56. "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).
55. "Picomolar inhibition of beta-galactosidase (bovine liver) attributed to loop closure", Jessica Pickens, Feng Wang, Susanne Striegler*, Bioorganic & Medicinal Chemistry, 25, 5194 (2017). https://doi.org/10.1016/j.bmc.2017.07.020
54. "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)
53. "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)
52. "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)
51. "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)
50. "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)
49. "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)
48. "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)
47. "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)
46. "Pairwise-additive Force Fields for Selected Aqueous Monovalent Ions from Adaptive Force Matching", Jicun Li and Feng Wang*, J. Chem. Phys., 143, 194505 (2015).
45. "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).
44. "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).
43. "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)
42. "Raman-Active Modes of Even-Numbered Cycloparaphenylenes: Comparisons between Experiments and DFT Calculations with Group Theory Arguments", Chen, Hang; Golder, Matthew; Wang, Feng; Doorn, Stephen; Jasti, Ramesh; Tretiak, Sergei; Swan, Anna, J. Phys. Chem. C, 119, 2879 2015)
41. "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).
40. "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, (2014)
39. "Graphene: A partially ordered non-periodic solid", Dongshan Wei and Feng Wang, J. Chem. Phys., 141, 144701 (2014)
38. "Stable Salt-water Cluster Structures Reflect the Delicate Competition Between Ion-water and Water-water Interactions", Cheng-Wen Liu, Lijiang Yang, Xin-Zheng Li, Wei-Jun Zheng, Feng Wang, and Yi Qin Gao, J. Phys. Chem. B, 118, 743, (2014)
37. "Raman Spectroscopy of Carbon Nanohoops", Hang Chen, Matthew R. Golder, Feng Wang, Ramesh Jasti and Anna K. Swan, Carbon, 67, 203 (2014)
36. "Liqiud-liquid transition in supercooled water suggested by microsecond simulations.", Yaping Li, Jicun Li and Feng Wang, Proc. Nat. Aca. Sci., USA, 110, 12209 (2013).
35. "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).
34. "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)
33. "Predicting the melting temperature of ice-Ih with only electronic structure information as input", Eric Pinnick, Shyam Erramilli, Feng Wang, J. Chem. Phys., 137, 014501, (2012)
32. "Synthesis, Characterization and Reactivity of Iron (II) and Iron (III) Compounds with fac -N2O1, cis -N2O2 and N2O3 Donor Ligands: Models for the 2-His 1-Carboxylate Motif of Mononuclear Nonheme Iron Oxygenases", Patrick J. Cappillino, John R. Miecznikowski, Laurie A. Tyler, II, Paul Tarves, Josh McNally, Wayne Lo, Bala Sundari T. Kasibhatla, Matthew D. Krzyaniak, John McCracken, Feng Wang, William H. Armstrong, and John P. Caradonna. Dalton Trans, 41, 5662 (2012)
31. "The effect of varying carboxylate ligation on the electronic environment of N2Ox (x = 1-3) nonheme iron: A DFT analysis", Patrick J. Cappillino, Feng Wang, and John P. Caradonna , Dalton Trans, 31, 474 (2012).
30. "Achieving fast convergence in ab iniitio free energy calculatioins through the adapative force matching method", Eric Pinnick, Andrew Rusnak, Camilo Calderon, and Feng Wang, Theoretical Chemistry Accounts, 131, 1146 (2012) [Invited Article]
29. "Relative Stability of Zigzag, Armchair, and Reczag Graphene Edges on the Ru(0001) surface”, Dongshan Wei and Feng Wang, Surf. Sci., 606, 485 (2012)
28. "Theoretical Analysis of [5.7]n Cyclacenes: Closed-Shell Cyclacene Isomers”, Elizabeth S. Hirst, Feng Wang, Ramesh Jasti, Org. Lett., 13, 6220 (2011).
27. "Effects of the dispersion interaction in liquid water", Omololu Akin-ojo and Feng Wang, Chem. Phys. Lett, 513, 59 (2011)
26. "A simple molecular mechanics potential for µm scale graphene simulations from the adaptive force matching method", Dongshan Wei, Yang Song, and Feng Wang, J. Chem. Phys., 134, 184704, (2011) pdf
25 "Approaching Post-Hartree-Fock Quality Potential Energy Surfaces with Simple Pair-wise Expressions: Parameterizing Point-Charge Based Force Fields for Liquid Water Using the Adaptive Force Matching Method", Feng Wang, Omololu Akin-ojo, Eric Pinnick, Yang, Song, Mol. Simul., 37, 591 (2011) [Invited Article] pdf
24. "The Extraordinary Stability Imparted to Silver Monolayers by Chloride: Novel Atomically-flat Surfaces", Erin V. Iski, Mahnaz El-Kouedi, Camilo Calderon, Feng Wang, Darin O. Bellisario, Tao Ye, E. Charles H. Sykes, Electrochimica Acta , 56, 1652, (2011). pdf
23. "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). pdf
22. "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). pdf
21. "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). [Cover Article] pdf
20. "Computational Investigation of 1-Palmitoyl-2-Oleoyl-sn-Glycero-3-Phosphocholine Lipid at Three Hydration Levels", Eric Pinnick, Shyamsunder Erramilli, and Feng Wang, Molecular Physics, 108, 2027 (2010) pdf
19. "The potential of mean force of nitrous oxide in 1,2-dimyristoylphosphatidylcholine lipid bilayer", Eric Pinnick, Shyamsunder Erramilli and Feng Wang, Chem. Phys. Lett., 489, 96 (2010) pdf
18. "Understanding the rotational mechanism of a single molecule: STM and DFT investigations of dimethyl sulfide molecular rotors on Au(111) ", Heather L. Tierney, Camilo E. Calderon, Ashleigh E. Baber, E. Charles H. Sykes, and Feng Wang, J. Phys. Chem. C, 114, 3152 (2010) pdf
17. "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) pdf
16. "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) pdf
15. "Kinetic Monte Carlo Modeling of Chemical Reactions Coupled with Heat Transfer", T. C. Castonguay and F. Wang, J. Chem. Phys., 128, 124706 (2008) pdf
14. "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) [Selected for Virtual Journal of Biological Physics Research] pdf
13. "Efficient Sampling of Ice Structures by Electrostatic Switching" G. Lindberg and F. Wang, J. Phys. Chem. B. 112, 6436 (2008) pdf
12. "Nitrous oxide vibrational energy relaxation is a probe of interfacial water in lipid bilayers" L. R. Chieffo, J. T. Shattuck, E. Pinnick, J. J. Amsden, M. K. Hong, F. Wang, S. Erramilli, L. D. Ziegler, J. Phys. Chem. B, 112, 12776 (2008) pdf
11. "Unusual "amphiphilic" association of hydrated protons in strong acid solution", F. Wang, S. Izvekov, and G. A. Voth, J. Am. Chem. Soc., 130, 3120 (2008) pdf
10. "An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Transport", Y, Wu, H. Chen, F. Wang, F. Paesani, and Gregory A. Voth, J. Phys. Chem. B, 112, 467 (2008) pdf
9. "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) pdf
8. "Excess Proton Solvation and Delocalization in a Hydrophilic Pocket of the Proton Conducting Polymer Membrane Nafion TM ", M. K. Petersen, F. Wang, N. P. Blake, H. Metiu, and G. A. Voth, J. Phys. Chem. B, 109, 3727 (2005) pdf
7. "Calculation of the Photodetachment Cross Sections of Dipole-bound electrons from HCN- and HNC-",M. Sindelka, V. Spirko, P. Jungwirth, F. Wang, M. Sahasranaman, and K. D. Jordan, J. Chem. Phys., 121, 1824-1829 (2004) pdf
6. "Electron Attachment to (H2O)2Arn Clusters", M.-K. Tsai, F. Wang, and K. D. Jordan, J. Phys. Chem. A, 108, 2912-2921 (2004) pdf
5. "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) pdf
4. "Theory of Dipole-bound Anions" K. D. Jordan and F. Wang, Ann. Rev. Phys. Chem., 54, 367-396 (2003) pdf
3. "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) pdf
2. "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) pdf
1. "A Drude-model Approach to Dispersion Interactions in Dipole-bound Anions", F. Wang and K.D. Jordan, J. Chem. Phys., 114, 24, 10717 (2001) pdf
Editorial Board Member: Chemical Physics
Guest co-editor, special issue of Journal of Biological Physics honoring Giorgio Careri
Guest-editor, special issue of Journal of Physical Chemistry A honoring Prof. Kenneth Jordan.
Panelist: National Science Foundation , National Institute of Health, National Research Council
Reviewer:
National Institute of Health,
National Science Foundation,
National Research Council,
Petroleum Research Fund,
Research Corporation,
Argonne National Laboratory,
Ministry of Education, Singapore
Reviewer:
Canadian Journal of Chemistry,
Computer Physics Communications,
Chemical Physics Letters,
European Physics Letters,
Journal of American Chemical Society,
Journal of Chemical Theory and Computation,
Journal of Computational Chemistry,
Journal of Molecular Liquids,
Langmuir,
Molecular Simulations,
Molecular Physics,
Physica A.,
Physics Letter A.,
Journal of Chemical Physics,
Journal of Physical Chemistry,
Theoretical Chemistry Accounts,
Science China,
Chemical Physics,
Frontiers of Chemical Science and Engineering
International Journal of Quantum Chemistry
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