• Textbook

    Thermodynamics for Molecular Engineering, J. Wu and J. M. Prausnitz (with >600 m.s. pages)

  • Monograph

    Variational Methods in Molecular Modeling, J. Wu, Springer, 2017 ISBN: 978-981-10-2500-6 (Print) 978-981-10-2502-0 (Online) 

  • Book Chapters and Reviews

    R11. C. Zhan, C. Lian, Y. Zhang, M. Tompson, Y. Xie, J. Wu, P. T. Cummings, P. R. C. Kent, D. Jiang, D. J. Wesolowski, “Computational Insights into Materials and Interfaces for Capacitive Energy Storage”,  Advanced Science, 4, 1700059, 2017.

    R10.  Z. Liu, J. Ge, D.N. Lu, G. Q. Jiang and J. Wu, “Recent advances in nanostructured enzyme catalysis for chemical synthesis in organic solvents”, , in “Biocatalysis and Nanotechnology”, edited by P. Grunwald, Pan Stanford, Singapore, 2017.

    R9. J. Kim and J. Wu,"Molecular Models for Hepatitis B Virus Capsid Formation, Maturation and Envelopment", in "Self-Assembling Systems: Theory and Simulation", edited by L.-T. Yan, John Wiley & Sons: Oxford, UK (2016)., 2017.

    R8. J. Wu,“Classical density functional theory for molecular systems”, in "Variational Methods in Molecular Modeling", edited by J. Wu, Springer, 2017.

    R7. J. Wu,“Square-Gradient Model for Inhomogeneous Systems: From Simple Fluids to Microemulsions, Polymer Blends and Electrons”, "Variational Methods in Molecular Modeling", edited by J. Wu, Springer, 2017.

    R6. M. Nada, S. Dai, J. Wu and D.E. Jiang, “Theoretic Insights into Porous Carbon-Based Supercapacitors”, Chapter in “Nanocarbons for Advanced Energy Storage” edited by X. L. Feng, John Wiley & Sons, Inc., 361-378, 2015 (invited).

    R5. J. Wu, ''Density functional theory for liquid structure and thermodynamics,'' pp1-74, in "Molecular Thermodynamics of Complex Systems, Series: Structure and Bonding", Vol. 131, Lu, Xiaohua and Hu, Ying (Eds.), Springer, 2009. 

    R4. J. Wu and Z. Li, “Density functional theory for complex fluids”, Annual Review of Physical Chemistry, 58:85-112, 2007.

    R3. J. Wu, ''Density functional theory for chemical engineering: from capillarity to soft materials,'' AIChE Journal, 52, 3, 1169-1193, 2006.

    R2. J. Wu and D. Morikis, ''Molecular thermodynamics for charged biomacromolecules,'' Fluid Phase Equilibria, 241, 317-333, 2006.

    R1. J. Wu and Z. B. Hu, ''Microgel dispersions: Colloidal forces and phase behavior,"Encyclopedia of Nanoscience and Nanotechnology", Marcel Dekker, Inc, J. Schwarz, C. Contescu, K. Putyera (eds.), 1967 - 1976, 2004.

  • Journal Articles

    205.    “The important roles of network connectivity and pore size distribution on ion transport across nanoporous electrodes”, C. Lian, H. Su, H. Liu, C. Li; J.Wu,, ACS Nano, 2019.

    204.    "Hunting Ionic Liquids with Large Electrochemical Potential Windows", C. Lian, H. Liu, C. Li, J. Wu, AIChE Journal, 65: 804–810, 2019.

    203.    “Cation molecular structure affects mobility and transport of electrolytes in porous carbons", N. Osti, D. Boris, A. Gallegos, D. Voneshen, J. K.  Keum, P. Zhang,  S. Dai, J. Wu., Y.  Gogotsi, E. Mamontov, The Journal of the Electrochemical Society, 166 (4) A507-A514, 2019.

    202.    “Photo-induced ultrafast active ion transport through graphene oxide membranes”, J. Yang, X. Hu, X. Kong, Y. Feng, Q. Wen, W. Zhu, D. Lu, J. Wu, L. Jiang and W. Guo, Nature Communications, 10:1171, 2019. 

    201.     “Flow effects on silicate dissolution and ion transport at an aqueous interface”, C. Lian, X. Kong, H. Liu, and J. Wu, Physical Chemistry Chemical Physics, 21, 6970-6975, 2019.

    200.    “Fractionation of isotopic methanes with metal-organic frameworks", M. Zhou, Y. Tian, W. Fei, J. Wu, The Journal of Physical Chemistry C, 123, 7397-7407, 2019

    199.    “Molecular Thermodynamics: An Endless Frontier”, J. Wu and J. M. Prausnitz, Industrial & Engineering Chemistry Research, 58, 9707−9708, 2019

    198.    "Lipase-graphene oxide aerogel for ultra-robust continuous gas-phase transesterification", W. Xu, Z. Fu, G. Chen, Z. Wang, G. Jiang, D. Lu, J. Wu and Z. Liu, Nature Communications, 10:2684, 2019.

    197. “Does Capillary Evaporation Limit the Accessibility of Nonaqueous Electrolytes to the Ultrasmall Pores of Carbon Electrodes?”, K. Liu, P. Zhang, and J. Wu, The Journal of Chemical Physics, 149, 234708, 2018.

    196. Polyelectrolytes Tailored Enzyme Cascades with Enhanced Stability and Activity for One-pot Synthesis", Wang, Zheyu; Wang, Junqian; Chen, Gong; Xu, Weina; Fu, Zhongwang; Jiang, Guoqiang; Wu, Jianzhong; Liu, Zheng, ChemCatChem, 10, 5391 – 5396, 2018.

    195. “Separation of carbon isotopes in methane with nanoporous materials”, Y. Tian, W. Fei and J. Wu, Industrial & Engineering Chemistry Research, 57, 5151−5160, 2018.

    194. “Accelerating CO2Absorption at High Temperature with Carbonic Anhydrase Encapsulated in Magnetic Nanogel”, Weina Xu, Zheyu Wang, Gong Chen, Zhongwang Fu, Guoqiang Jiang, Jian Chen, Jianzhong Wu and Zheng Liu, Catalysis Letters, 148:1827–1833, 2018.  

    193. “Electric double layer capacitance for ionic liquids in nanoporous electrodes: Effects of pore size and ion composition”, J. N. Neal, D. J. Wesolowski, D. Henderson, and J. Wu, Journal of Molecular Liquids, 270:145-150, 2018.

    192. "Pluronic Conjugated Enzyme Cascade for in situ Oxidation in Biphasic Media", Z. Wang; W. Xu; Z. Fu; G. Jiang; J. Wu; Z. Liu, ChemCatChem, 10, 2003–2008, 2018.

    191. "Mixed Ionic Liquid Improves Electrolyte Dynamics and Energy Density in Supercapacitors", Osti, Naresh; Gallegos, Alejandro; Dyatkin, Boris; Wu, Jianzhong; Gogotsi, Yury; Mamontov, Eugene, The Journal of Physical Chemistry C, 122(19), 10476–10481, 2018

    190. "Polyelectrolyte Complex Coacervation: Effects of Concentration Asymmetry", Pengfei Zhang, Nayef Alsaifi, Jianzhong Wu, and Zhen-Gang Wang, The Journal of Chemical Physics, 149, 163303, 2018. 

    189. “Electrochemical Behavior of Nanoporous Supercapacitors with Oligomeric Ionic Liquids”, Cheng Lian; Haiping Su, Honglai Liu; Jianzhong Wu, The Journal of Physical Chemistry C, 122, 14402−14407, 2018.

    188. “Electrolyte Cation Length Influences Electrosorption and Dynamics in Porous Carbon Supercapacitors”, Boris Dyatkin, Naresh C. Osti, Alejandro Gallegos, Yu Zhang, Eugene Mamontov, Peter T. Cummings, Jianzhong Wu, Yury Gogotsi, Electrochimica Acta, 283, 882-893, 2018.

    187. “Ionic-Liquid Mixture Expands Potential Window and Capacitance of Supercapacitors in Tandem”, Cheng Lian; Honglai Liu; Jianzhong Wu, The Journal of Physical Chemistry C, 122 (32), 18304–18310, 2018.

    186. “Modeling selective ion adsorption into cylindrical nanopores”, Y. Qiao, C. Lian, J. Wu, B. Z. Lu, Physical Chemistry Letters, 709, 116-124, 2018.

    185. “Detachment of HCO3from the Active Site of Carbonic Anhydrase: Molecular Dynamics Simulation and Machine Learning”, G. Chen, D. Lu, J. Wu and Z. Liu, The Journal of Physical Chemistry C, 122 (35), 20539–20549, 2018.

    184. “Multi-models Computation for Adsorption Capacity of Activated Carbon”, G.D. Wang, Y. Tian, J.C. Jiang and J. Wu, Adsorption Science and Technology,36(1–2) 508–520, 2018.

    183. “A Comprehensive Analysis of the BET Surface Area for Microporous Materials”, Y. Tian and J. Wu, AIChE Journal, 64(1),286-293, 2018.

    182. “Lectin corona enables high-performance enzymatic catalysis on the surface of magnetic nanoparticles”, Y. Yong, R. Su, Y. Zhang, R. Wang, J. Ge, P. Ouyang, J. Wu and Z. Liu, Biochemical Engineering Journal, 129, 26-32, 2018.

    181. “A Molecular Theory for Predicting the Thermodynamic Efficiency of Electrokinetic Energy Conversion in slit Nanochannels”, X. Hu, X. Kong, D. N. Lu, J. Wu, The Journal of Chemical Physics, 148, 084701, 2018.

    180. “Markov-state model for CO2binding with carbonic anhydrase under confinement", G. Chen, W. Xu, D. Lu, J. Wu and Z. Liu, The Journal of Chemical Physics, 148, 035101, 2018.

    179. “An improved theoretical procedure for the pore-size analysis of activated carbon by gas adsorption”, G.D. Wang, J.C. Jiang, K. Sun, and J. Wu, Chinese Journal of Chemical Engineering, 26, 551–559, 2018.

    178. “Structure and capacitance of an electric double layer of an asymmetric valency dimer electrolyte: A comparison of the density functional theory with Monte Carlo simulations”, D. Henderson, W. Silvestre-Alcantara, M. Kaja, S. Lamperski, J. Wu and L. B. Bhuiyan, Journal of Molecular Liquids, 228, 236–242, 2017.

    177. “Differential Heat of Adsorption and Isosteres”, Y. Tian and J. Wu, Langmuir, 33(4): 996-1003, 2017.

    176. “Non-scaling behavior of electroosmotic flow in voltage-gated nanopores", C. Lian, A. Gallegos, H.L. Liu and J. Wu, Physical Chemistry Chemical Physics, 19, 450-457, 2017.

    175. “Chemical and Radiation Stability of Ionic Liquids – A Computational Screening Study”, N. V. Ilawe, J. Fu, B. M. Wong, S. Ramanathan, J. Wu, Journal of Physical Chemistry C, 120 (49), 27757–27767, 2017.

    174. “Salting-Out and Salting-In Effects in Polyelectrolyte Solutions: a Liquid-State Theory Study”, P. Zhang, N. M. Alsaifi, J. Wu, and Z. G. Wang,Macromolecules, 49 (24), 9720–9730, 2017. 

    173. “Concanavalin A Enhanced Enzymatic Catalysis on Activated Carbon”, W.N. Xu, Y. Yong, Z. Y. Wang, G. Jiang, J. Wu and Z. Liu,ACS Sustainable Chemistry & Engineering, 5 (1), 90–96, 2017.

    172. “Kinetics of CO2Diffusion in Human Carbonic Anhydrase: A Study by Molecular Dynamics Simulation and the Markov-State Model”,G. Chen, X. Kong, D. N. Lu, J. Wu and Z. Liu,Physical Chemistry Chemical Physics, 19, 11690, 2017.  

    171. “Ion distribution and selectivity of ionic liquids in microporous electrodes", J. N. Neal, D. J. Wesolowski, D. Henderson, and J. Wu, Journal of Chemical Physics, 146, 174701, 2017.

    170. Erratum: “Ion distribution and selectivity of ionic liquids in microporous electrodes” [J. Chem. Phys. 146, 174701 (2017)], J. N. Neal, D. J. Wesolowski, D. Henderson, and J. Wu, Journal of Chemical Physics, 147, 169902, 2017.

    169. “A Theoretical Study on the Morphological Phase Diagram of Supported Lipid Bilayers”, X. Kong, D. N. Lu, J. Wu, and Z. Liu, Physical Chemistry Chemical Physics,19, 16897-16903, 2017 

    168. “Ion association at discretely-charged dielectric interfaces: Giant charge inversion”, Z. Y. Wang and J. Wu, Journal of Chemical Physics, 147, 024703, 2017.

    167. “Impurity Effects on Charging Mechanism and Energy Storage of Nanoporous Supercapacitors”, C. Lian, K. Liu, H.L. Liu and J. Wu, Journal of Physical Chemistry C, 121 (26), 14066–14072, 2017. 

    166. “Capacitive Energy Extraction by Few-Layer Graphene Electrodes”, C. Lian, C. Zhan, D. E. Jiang, H.L. Liu and J. Wu, Journal of Physical Chemistry C, 121 (26), 14010–14018, 2017

    165. “A Molecular Theory of Hydration at Different Temperatures", S. Sheng, M. Miller and J. Wu, Journal of Physical Chemistry B, 121 (28), 6898–6908, 2017.

    164. “Self-amplified surface charging and partitioning of ionic liquids in nanopores", J. N. Neal, K. L. Van Aken, Y. Gogotsi, D. J. Wesolowski and J. Wu, Physical Review Applied, 8, 034018, 2017.

    163. “A Thermodynamic Route for Efficient Prediction of Gas Diffusivity in Nanoporous Materials”, Y. Tian, X. Xu and J. Wu, Langmuir, 33, 11797−11803, 2017.

    162. "Solvation Structure of Surface-Supported Amine Fragments: a Molecular Dynamics Study", S. Sheng, J. Fu, B. Wong, and J. Wu, Journal of Physical Chemistry C,121 (40), 22156–22163,2017. 

    161.“Selective charging behavior in an ionic mixture electrolyte-supercapacitor system for higher energy and power”, X. Wang, A. Mehandzhiyski, B. Arstad, K. Van Aken, T., Mathis, A. Gallegos, Z. Tian, D. Ren, E. Sheridan, B. Grimes, D. Jiang, J. Wu, Y. Gogotsi, D. Chen, Journal of the American Chemical Society, 139, 18681−18687, 2017.

    160. K. Liu, C. Lian, D. Henderson, and J. Wu,“Impurity Effects on Ionic-Liquid-Based Supercapacitors", Molecular Physics, 115:4, 454-464, 2016.

    159.C. Lian, D. Jiang, H. L. Liu and J. Wu, “A Generic Model for Electric Double Layers in Porous Electrodes”, Journal of Physical Chemistry C120 (16), 8704–8710, 2016.

    158. S. J. Sheng and J. Wu, “Direct Correlation Functions for Three-site and Four-site Water Models”, Molecular Physics, 114(16-17), 2351-2363, 2016.

    157.C. Lian, X. Kong, H. L. Liu, J. Wu,“On the hydrophilicity of electrodes for capacitive energy extraction”, Journal of Physics: Condensed Matter, 28, 464008, 2016.

    156.J. Wu, D. Henderson, and K.Y. Chan, “A Life Dedicated to the Theory of Simple Fluids − In Memory of Yiping Tang”, Molecular Physics, 114 (16-17), 2325-2327, 2016.

    155.X. Kong, D. N. Lu, J. Wu, and Z. Liu, “Spreading of a Unilamellar Liposome on Charged Substrates: A Coarse-Grained Molecular Simulation”, Langmuir, 32 (15), 3785–3793, 2016. 

    154. C. Lian, K. Liu, K. L. Van Aken, Y. Gogotsi, D. J. Wesolowski, H.L. Liu, D.E. Jiang, and J. Wu, “Enhancing the Capacitive Performance of Electric-Double-Layer Capacitors with Ionic-Liquid Mixtures", ACS Energy Letters1, 21–26, 2016.

    153.X. Xu, M. Kanduč, J. Wu, and J. Dzubiella,“Potential of mean force and transient states in polyelectrolyte pair complexation", Journal of Chemical Physics, 145, 034901, 2016.

    152.C. Lian, H. L. Liu, D. Henderson, and J. Wu, “Can an ionophobic nanopore enhance the energy storage of nonaqueous-electrolytes based supercapacitors?”, Journal of Physics: Condensed Matter, 28, 414005, 2016.

    151.J. P. Li, J. Fu, X. Huang, D. N. Lu and J. Wu, “Predicting hydration-free energies of amphetamine-type stimulants with customized molecular models", Journal of Physics: Condensed Matter, 28, 344001, 2016.

    150. K. Liu, and J. Wu, “Boosting the Performance of Ionic-Liquid-Based Supercapacitors with Polar Additives", The Journal of Physical Chemistry C120 (42), 24041–24047.

    149.C. Lian, S. L. Zhao, H.L. Liu and J. Wu,“Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids", Journal of Chemical Physics, 145, 204707, 2016.

    148. J. Fu and J. Wu, “Toward high-throughput predictions of the hydration free energies of small organic molecules from first principles”, Fluid Phase Equilibria, 407, 304–313, 2016.

    147. C. Zhan, J. Neal, J. Wu, and D. Jiang, “Quantum Effects on the Capacitance of Graphene-Based Electrodes”,  Journal of Physical Chemistry C, 119 (10), 5374-5385, 2015.

    146. W. Silvestre-Alcantara, D. Henderson, J. Wu, M. Kaja and S. Lamperski, “Structure of an electric double layer containing a 2:2 valency dimer electrolyte”, Journal of Colloid and Interface Science, 449 175–179, 2015.

    145. X. Kong, Z.X. Li, D. N. Lu, Z. Liu, and J. Wu, “Molecular dynamics for the charging behavior of nanostructured electric double layer capacitors containing room temperature ionic liquids”, Nano Research, 8(3): 931-940, 2015.

    144. X. Kong, J. Wu, and D. Henderson, “Density functional theory study of the capacitance of single file ions in a narrow cylinder”, Journal of Colloid and Interface Science, 449, 130–135, 2015.

    143. J. Fu, Y. Liu, J. Wu, “Molecular density functional theory for multiscale modeling of hydration free energy”, Chemical Engineering Science, 126, 370–382, 2015.

    142. G. Chen, D. N. Lu, J. Wu and Z. Liu, “Molecular dynamics simulation for hydration effect on CO2 diffusion in carbonic anhydrase” Journal of Chemical Industry and Engineering66(8), 2903-2910, 2015.

    141. J. Fu, Y. Tian, and J. Wu, “Classical density functional theory for methane adsorption in metal-organic framework materials”, AIChE Journal, 61(9), 3012–3021, 2015.

    140. J. Fu, Y. Liu, Y. Tian, J. Wu, “Density functional methods for fast screening of metal-organic frameworks for hydrogen storage”, Journal of Physical Chemistry C, 119 (10), 5374-5385, 2015.

    139. J. Kim and J. Wu, “A thermodynamic model for the genome packaging in hepatitis B virus”, Biophysical Journal, 109(8), 1689–1697, 2015.

    138. X. Kong, A. Gallegos, D. N. Lu, Z. Liu, and J. Wu, “A Molecular Theory for Optimization of Electrode Configuration and Process Parameters in Blue Energy Extraction”,Phys. Chem. Chem. Phys., 17, 23970-23976, 2015.

    137. J. Kim, Y. Tian, and J. Wu, “Thermodynamic and structural evidences for reduced hydrogen bonding among water molecules near small hydrophobic solutes”, Journal of Physical Chemistry B119 (36), 12108–12116, 2015.

    136. J. Fu, Y. Tian, and J. Wu, “Seeking metal-organic frameworks (MOFs) for methane storage in natural gas vehicles”, Adsorption, 21:499–507, 2015.

    135.  J. Fu, R. Custelcean, J. Wu, D. E. Jiang, “Nitrogen-doped porous aromatic frameworks for enhanced CO2 adsorption”, Journal of Colloid and Interface Science, 438, 191-195, 2015

    134.  X. Kong, Z.X. Li, D. N. Lu, Z. Liu, and J. Wu, “Formation of surfactant-aquaporin complexes under different pH conditions: A study of dynamics and aquaporin function from atomistic molecular simulations”, RSC Advances, 4, 37592-37599, 2014.

    133.  J. Kim and J. Wu, “A theoretical study on SRPK interaction with the flexible domains of Hepatitis B capsids”, Biophysical Journal, 107(6), 1453-1461, 2014.

    132.J. Wu, “Doctrine of the mean for sustainable development: Green by design, protection with knowledge” (I), Science &Technology Review, 32(25), 88, 2014.

    131. J. Wu, “Doctrine of the mean for sustainable development: Green by design, protection with knowledge” (II), Science &Technology Review, 32(26), 88, 2014.

    130.  X. Kong, J. Jiang, D. N. Lu, Z. Liu, and J. Wu, “A molecular theory for electrokinetic transport in pH-Regulated Nanochannels”, The Journal of Physical Chemistry Letters5 (17), 3015–3020, 2014.

    129.  J. Kim and J. Wu, “A molecular thermodynamic model for the stability of hepatitis B capsids”, Journal of Chemical Physics140, 235101, 2014.

    128.  J. Jiang, D. Cao, D. Jiang, and J. Wu, “Kinetic charging inversion in ionic-liquid electric double layers”, The Journal of Physical Chemistry Letters5 (13), 2195–2200, 2014.

    127. W. Silvestre-Alcantara, L. Bari Bhuiyan, J. Jiang, J. Wu and D. Henderson,  "Contact value relations and density functional theory for the electrical double layer", Molecular Physics, 112(24), 3144–3151, 2014.

    126.  Y. Liu and J. Wu,“A new exchange-correlation functional free of delocalization and static correlation errors”, Phys. Chem. Chem. Phys., 16,16373-16377, 2014.

    125. Y. Liu and J. Wu, “Structure and thermodynamic properties of relativistic homogeneous electron systems”, Physical Review E, 90, 012141, 2014.

    124.   Y. Liu and J. Wu, “An improved classical mapping method for homogeneous electron gas at finite temperature”, Journal of Chemical Physics, 141, 064115 (2014).

    123. J. Fu, Y. Liu, and J. Wu, “Fast prediction of hydration free energies for SAMPL4 blind test from a classical density functional theory”, The Journal of Computer-Aided Molecular Design, 28:299–304, 2014.

    122. J. Jiang, D. Cao, D. Jiang, and J. Wu, “Time-dependent density functional theory for charge diffusion in electrochemical systems”, Journal of Physics: Condensed Matter26, 284102, 2014. (invited)

    121. D. E. Jiang and J. Wu, “Unusual effects of solvent polarity on capacitance for organic electrolytes in a nanoporous electrode”, Nanoscale, 6 (10), 5545-5550, 2014.

    120. J. Jiang, D. Cao, D. Henderson, and J. Wu, “Revisiting density functionals for ionic distributions in electric double layers”, Journal of Chemical Physics, 140, 044714, 2014.

    119. J. Jiang, D. Cao, D. Henderson, and J. Wu, “A contact-corrected density functional theory for electrolytes at interface”, Phys. Chem. Chem. Phys., 16, 3934, 2014.

    118. Y. Liu and J. Wu, “A bridge-functional-based classical mapping method for predicting the correlation functions of uniform electron gases at finite temperature”, Journal of Chemical Physics, 140, 084103, 2014.

    117. Y. Liu, J. Fu and J. Wu,“High-throughput prediction of the hydration free energies of small molecules from a classical density functional theory”, The Journal of Physical Chemistry Letters, 4, 3687−3691, 2013.

    116. Y. Liu, J. Fu and J. Wu, “An extension of Rosenfeld's excess-entropy scaling method for atomic diffusion in nanoporous materials”, Langmuir, 29, 12997−13002, 2013.

    115. S. Zhao, Y. Liu, H. L. Liu, and J. Wu, “Site-site direct correlation functions for three popular models of liquid water”, Journal of Chemical Physics, 139, 064509, 2013.

    114. S. Lamperski, M. Kaja, L. Bhuiyan, J. Wu, and D. Henderson, “Influence of anisotropic ion shape on structure and capacitance of an electric double layer. A Monte Carlo and density functional study”, The Journal of Chemical Physics 139, 054703, 2013.

    113. Y. Liu and J. Wu, “Long-range angular correlations in liquid water”, The Journal of Chemical Physics 139 (4), 041103, 2013.

    112. D. Henderson, S. Lamperski, L. B. Bhuiyany, J. Wu, “The tail effect on the shape of an electrical double layer differential capacitance curve”, Journal of Chemical Physics, 138(14), 144704, 2013.

    111. Y. Liu, S. Zhao, and J. Wu, “A site density functional theory for water: Application to solvation of amino acid side chains”, Journal of Chemical Theory and Computation, 9(4), 1896–1908, 2013.

    110. D. E. Jiang and J. Wu, “Microscopic insights into the electrochemical behavior of non-aqueous electrolytes in supercapacitors”, The Journal of Physical Chemistry Letters, 4, 1260-1267, 2013 (Invited Perspective Article).

    109. D.S. Li, F. Soberanis, J. Fu, W.T. Hou, J. Wu, and D. Kisailus, “Growth mechanism of highly branched titanium dioxide nanowires via oriented attachment, Crystal Growth & Design13 (2), 422–428, 2013.

    108. J. Wu, S.L. Zhao, L. Gao, J. Wu and D. Gao, “Separation of short ssDNA by stretching in an electric field”, Journal of Physical Chemistry B, 117 (8), 2267–2272, 2013.

    107. “A liquid-state theory for electron correlation functions and thermodynamics”, S. Zhao, P. Feng, and J. Wu, Chemical Physics Letters, 556, 336–340, 2013.

    106. D. Henderson, D. E. Jiang, Z. H. Jin, J. Wu, “Application of density functional theory to study the double layer of an electrolyte with an explicit dimer model for the solvent”, Journal of Physical Chemistry B, 116 (36), 11356–11361, 2012.

    105.  L. B. Bhuiyany, S. Lamperski, J. Wu, D. Henderson, “Monte Carlo simulation for the double layer structure of an ionic liquid using a dimer model: a comparison with the density functional theory”, Journal of Physical Chemistry B, 116 (34), 10364–10370, 2012.

    104. D. E. Jiang, Z. H. Jin, D. Henderson, J. Wu, “Role of polar solvent in dependence of capacitance on pore size”, The Journal of Physical Chemistry Letters, 3, 1727-1731, 2012

    103. D. Henderson and J. Wu, “Electrochemical properties of the double layer of an ionic liquid using a dimer model electrolyte and density functional theory”, Journal of Physical Chemistry B, 116, 2520-2525, 2012.

    102. Z. Jin, J. Kim and J. Wu, “Shape effect on nanoparticle solvation: A comparison of morphometric thermodynamics and microscopic theories”, Langmuir, 28 (17), 6997–7006, 2012. 

    101. Z. Jin and J. Wu, “Density functional theory for encapsidated polyelectrolytes”, Journal of Chemical Physics137, 044905 2012

    100. D. Jiang, Z. Jin and J. Wu “Oscillation of Capacitance inside Nanopores”, Nano Letters, 11, 5373-5377, 2011.

    99. D. Meng, R. P. Hjelm, J. Hu, and J. Wu, “A theoretical model for the dynamic structure of Hepatitis B nucleocapsid”, Biophysical Journal, 101, 2476-2484, 2011.

    98. D. Henderson, S. Lamperski, Z. Jin, and J. Wu, “Density functional study of the double layer formed by a high density electrolyte”, Journal of Physical Chemistry B, 115, 12911-12914, 2011.

    97. J. Wu, S.L. Zhao, J. Wu and D. Gao, “Separation of ssDNA with a 10-nucleotide resolution under a stretching force in microfluidic channels”, Lab on Chip, 11, 4036-4040, 2011.

    96. J. Wu, T. Jiang, D. Jiang, Z. Jin, D. Henderson, “A classical density functional theory for interfacial layering of ionic liquids”, Soft Matter, 7, 11222-11231, 2011.

    95. S. Zhao and J. Wu, “Site-site direct correlation functions of bulk water”, Molecular Physics, 109(21), 2553-2564, 2011.

    94. C. L. Ting, J. Wu and Z.G. Wang, “On the thermodynamic basis for the genome to capsid charge relationship in electrostatically-driven viral encapsidation”, PNAS, 108(41), 16985-16990 2011

    93. S. Zhao, Z. Jin and J. Wu,“New theoretical method for rapid prediction of solvation free energy in water”, Journal of Physical Chemistry B, 115, 6971-6975(2011).

    92.  Z. Jin, Y. P. Tang and J. Wu, “A perturbative density functional theory for square-well fluids”, Journal of Chemical Physics, 134 (17), 174702, (2011).

    91. E. R. A. Lima, T. Jiang and J. Wu, “A theoretical study of colloidal forces near amphiphilic polymer brushes”, Colloids and Surfaces A, 384, 115– 120 (2011).

    90. D. Jiang, D. Meng and J. Wu “Density functional theory for differential capacitance of planar electric double layers in ionic liquids”, Chemical Physics Letters, 504, 153–158, 2011.

    89. S. Zhao, J. Wu, D. Gao and J. Wu, “Gaussian fluctuation in end-tethered DNA chains”, Journal of Chemical Physics, 134, 065103, 2011.

    88. S. Zhao and J. Wu, “Self-consistent equations governing the dynamics of non-equilibrium colloidal systems”, Journal of Chemical Physics, 134, 054514, 2011.

    87. Z. Jin and J. Wu, “A hybrid mc-dft method for studying multi-dimensional entropic forces”, Journal of Physical Chemistry B, 115 (6), 1450–1460, 2011.

    86. X. Xu, D. Cao and J. Wu,“Density functional theory for predicting polymeric forces against surface fouling”, Soft Matter, 6(19), 4631-4646, 2010.

    85. Z. Jin, S. Zhao and J. Wu, “Entropic forces of single-chain confinement in spherical cavities”, Physical Review E, 82, 041805, 2010. 

    84. H. Y. Shin and J. Wu, “Equation of state for the phase behavior of polymers in carbon dioxide”, Industrial and Engineering Chemical Research, 49 (16), 7678–7684, 2010.

    83. L. Wang, H. J. Liang, C. Wu, and J. Wu, “Electrostatic origins of polyelectrolyte adsorption: Theory and Monte Carlo Simulations”, Journal of Chemical Physics133(4), 044906(13 pages) (2010).

    82. L. Wang, T. Wu, F. Zuo, X. Z., X. Bu, J. Wu, and P. Feng, “Self-similarity in metal chalcogenide nanocluster chemistry: Assembly of supertetrahedral T5 copper-indium chalcogenide clusters into super-supertetrahedron of infinite order”, Journal of the American Chemical Society, 132(10), 3283–3285, 2010.

    81. L. Cao, A. K. Jones, V. K. Sikka, J. Wu, and D. Gao, “Anti-icing superhydrophobic coatings”, Langmuir, 25 (21), 12444–12448, 2009.

    80. J. Jin, J. Wu, A. L. Frischknecht, “Modeling microscopic morphology and mechanical properties of block copolymer/nanoparticle composites”, Macromolecules, 42 (19), 7537–7544, 2009.

    79. J. Wu, “Solvation of a spherical cavity in simple liquids: Stretching the limits”, The Journal of Physical Chemistry B, 113 (219), 6813-6818, 2009.

    78. T. Jiang and J. Wu, “Cluster formation and bulk phase behavior of colloidal dispersions”, Physical Review E, 80, 021401, 2009.

    77. T. Jiang, Z. G. Wang and J. Wu, “Electrostatic regulation of genome packaging in human hepatitis B virus”, Biophysical Journal, 96, 3065–3073, 2009.

    76. Z. Li and J. Wu, “Formation of lamellar structures from spherical particles”, Journal of Chemical Physics, 130(16), 165102, 2009.

    75. T. Jiang and J. Wu, “Self-organization of multivalent counterions in polyelectrolyte brushes”, Journal of Chemical Physics, 129: 084903, 2008.

    74. J. Wu and J. M. Prausnitz, “Pairwise additive hydrophobic effect for alkanes in water”, Proceedings of National Academy of Science of the United States, 105(28): 9512–9515, 2008.

    73. Z. Li, J. Wu and Z. G. Wang, “Osmotic pressure and packaging structure of caged DNA”, Biophysical Journal, 94: 737-746, 2008.

    72. Z. Li and J. Wu, “Towards a quantitative theory of ultra‐small liquid droplets and vapor‐liquid nucleation”, Industrial & Engineering Chemistry Research, 47 (15): 4988–4995, 2008.

    71. J. Jin and J. Wu, “A theoretical study for nanoparticle partitioning in the lamellae of diblock copolymers”, Journal of Chemical Physics, 128, 074901, 2008.

    70. T. Jiang and J. Wu, “Ionic effects in collapse of polyelectrolyte brushes”, The Journal of Physical Chemistry B, 112 (26), 7713–7720, 2008.

    69. S. Tang, Z. Hu, B. Zhou, Z. Cheng J. Wu, M. Marquez, “Melting kinetics of thermally responsive microgel crystals”, Macromolecules, 40, 9544-9548, 2007.

    68. L. Gao, J. Wu, D. Gao, J. Wu, “Separation of long DNA molecules through cleavage of hydrogen bonds under a stretching force”, Applied Physical Letters, 91, 113902, 2007.

    67. T. Jiang, J. Wu, “Isotropic-nematic phase transition in athermal solutions of rod-coil diblock copolymers”, Journal of Chemical Physics, 127, 034902, 2007.

    66. T. Jiang, Z. Li, J. Wu, “Structure and swelling of grafted polyelectrolytes: Predictions from a non-local density functional theory”, Macromolecules, 40, 2, 334-343, 2007.

    65. D. Lu, Z. Liu, J. Wu, “Molecular dynamics for surfactant-assisted protein refolding”, Journal of Chemical Physics, 126, 064906, 2007.

    64. Z. Li and J. Wu, “Potential distribution theorem for the polymer-induced depletion between colloidal particles”, Journal of Chemical Physics, 126, 144904, 2007.

    63. D. Lu, J. Wu, Z. Liu, “Dynamic control of protein folding pathway with a polymer of tunable hydrophobicity”, The Journal of Physical Chemistry B, 111, 42, 12303 -12309, 2007.

    62. D. Cao, J. Wu, “Density functional theory for a primitive model of nanoparticle-block copolymer mixtures”, Journal of Chemical Physics, 126, 144912, 2007.

    61. X. Wang, D. Lu, R. Austin, A. Agarwal, L. J. Mueller, Z. Liu, J. Wu, P. Feng, “Protein refolding assisted by periodic mesoporous organosilicas”, Langmuir, 23, 10, 5735-5739, 2007.

    60. D. Cao, J. Wu, “Surface forces between telechelic brushes revisited: The origin of a weak attraction”, Langmuir, 22, 2712-2718, 2006.

    59. Z. Li, J. Wu, “Density functional theory for polyelectrolytes near oppositely charged surfaces”, Physical Review Letters, 96, 048302, 2006.

    58. D. Cao, T. Jiang, J. Wu, “A hybrid method for predicting the microstructure of polymers with complex architecture: Combination of single-chain simulation with density functional theory”, Journal of Chemical Physics, 124, 16,164904, 2006.

    57. Z. Li, J. Wu, “Density functional theory for planar electric double layers: Closing the gap between simple and polyelectrolytes”, The Journal of Physical Chemistry B, 110, 7473-7484, 2006.

    56. D. Lu, Z. Liu, J. Wu, “Structural transitions of confined model proteins: simulation and experimental validation”, Biophysical Journal, 90, 9, 3224-3238, 2006.

    55. L. Arleth, X. Xia, R. Hjelm, J. Wu, Z. Hu, “Volume transition and internal structures of small poly(N-isopropylacrylamide) microgels”, Journal of Polymer Science B: Polymer Physics, 43, 849–860, 2005.

    54. D. Cao, J. Wu, “Modeling the selectivity of activated carbons for efficient separation of hydrogen and carbon dioxide”, Carbon, 43, 7, 1364-1370, 2005.

    53. S. Ravindran, J. Wu, “Size effect on colloidal forces within the primitive model”, Condensed Matter Physics, 8, 2, 42-52, 2005.

    52. D. Cao, J. Wu, “Surface-induced phase transitions in ultrathin films of block copolymers”, Journal of Chemical Physics, 122, 194703, 2005.

    51. Z. Li, D. Cao and J. Wu, “Density functional theory and Monte Carlo simulation for the surface structure and correlation functions of freely jointed Lennard-Jones polymeric fluids”, Journal of Chemical Physics, 122, 174708, 2005.

    50. Z. Li, D. Cao and J. Wu, “Layering, condensation, and evaporation of short chains in narrow slit pores”, Journal of Chemical Physics, 122, 224701, 2005.

    49. D. Cao, J. Wu, “Theoretical study of cooperativity in multivalent polymers for colloidal stabilization”, Langmuir, 21, 9786-9791, 2005.

    48. Y. Yu, J. Wu, F. You, G. Gao, “A self-consistent theory for the inter- and intramolecular correlation functions of a hard-sphere-Yukawa-chain fluids”, Chinese Physics Letters, 22, 1, 246-249, 2005.

    47. D. Cao, J. Wu, “Microstructure of block copolymers near selective surfaces: Theoretical predictions and configurational-bias Monte Carlo simulations”, Macromolecules, 38, 971-978, 2005.

    46. Z. Li, J. Wu, “Modeling the electrostatics and size effect within a crowded bioenvironment”, Macromolecular Symposia, 219, 51-57, 2005.

    45. D. Fu, J. Wu, “Vapor-liquid equilibria and interfacial tensions of associating fluids within a density functional theory”, Industrial & Engineering Chemistry Research, 44, 1120-1128, 2005.

    44. A. Kumar, J. Wu, “Structural and dynamic properties of colloids near jamming transition”, Colloids and Surfaces A, 247, 145-151, 2004.

    43. E. Buenrostro-Gonzalez, C. Lira-Galeana, A. Gil-Villegas, J. Wu, “Asphaltene precipitation in crude oils: Theory and experiments”, AIChE Journal, 50, 10, 2552-2570, 2004.

    42. Z. Li, J. Wu, “Density functional theory for the structures and thermodynamic properties of highly asymmetric electrolyte and neutral component mixtures”, Physical Review E, 70, 031109 (9 pages), 2004.

    41. Y. Yu, J. Wu, G. Gao, “Electrostatic potentials of electric double layers”, Chinese Journal of Chemical Engineering, 12, 5, 688-695, 2004.

    40. D. Fu, J. Wu, “A self-consistent approach for modeling the interfacial properties and phase diagrams of Yukawa, Lennard-Jones and square-well fluids”, Molecular Physics, 102, 13, 1479-1488, 2004.

    39. S. Ravindran, J. Wu, “Overcharging of nanoparticles in electrolyte solutions”, Langmuir, 20, 7333-7338, 2004.

    38. S. Tang, Z. Hu, C. Cheng, J. Wu, “Crystallization kinetics of thermosensitive colloids probed by transmission spectroscopy”, Langmuir, 20, 8858-8864, 2004.

    37. D. Cao, J. Wu, “Density functional theory for semiflexible and cyclic polyatomic fluids”, Journal of Chemical Physics, 121, 9, 4210-4220, 2004.

    36. D. Cao, P. Feng, J. Wu, “Molecular simulation of novel carbonaceous materials for hydrogen storage”, Nano Letters, 4, 8, 1489-1492, 2004.

    35. Y. Tang, J. Wu, “Modeling inhomogeneous van der Waals fluids using an analytical direct correlation function”, Physical Review E, 70, 1, 011201(8 pages), 2004.

    34. Y. Yu, J. Wu, Y. Xin, G. Gao, “Structures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory”, Journal of Chemical Physics, 121, 3, 1535-1541, 2004.

    33. A. Kumar, J. Wu, “Jamming phase diagram of colloidal dispersions by molecular dynamics simulations”, Applied Physical Letters, 84, 22, 4565-4567, 2004.

    32. D. Cao, J. Wu, “Self-diffusion of methane in single-walled carbon nanotubes at sub- and supercritical conditions”, Langmuir, 20, 20, 3759-3765, 2004.

    31. Y. Yu, J. Wu, G. Gao, “Density functional theory of spherical electric double layers and zeta potentials of colloidal particles in restricted-primitive-model electrolyte solutions”, Journal of Chemical Physics, 120, 15, 7223-7233, 2004.

    30. J. Wu, “Integrating novel examples into thermodynamics courses”, International Journal of Engineering Education, 20, 2, 293-301, 2004.

    29. Y. Tang, J. Wu, “A density functional theory for bulk and inhomogeneous Lennard-Jones fluids from the energy route”, Journal of Chemical Physics, 119, 14, 7388-7397, 2003.

    28. Y. Yu, J. Wu, “Extended test particle method for predicting the inter- and intra- molecular correlation functions of polymeric fluids”, Journal of Chemical Physics, 118, 8, 3835-3842, 2003.

    27. Y. Yu, J. Wu, “A modified fundamental measure theory for spherical particles in microchannels”, Journal of Chemical Physics, 119, 4, 2288-2295, 2003.

    26. D. Fu, Y. Li, J. Wu, “Effect of the range of attractive interactions on crystallization, metastable phase transition and percolation in colloidal dispersions”, Physical Review E, 68, 1, 011403 (12 pages), 2003.

    25. J. Wu, B. Zhou, Z. Hu, “Phase behavior of thermally responsive microgel colloids”, Physical Review Letters, 90, 4, 048304 (4 pages), 2003.

    24. J. Wu, G. Huang, Z. Hu, “Inter-particle potential and the phase behavior of temperature-sensitive microgel dispersions”, Macromolecules, 36, 440-448, 2003.

    23. Y. Yu, J. Wu, “Structures of hard-sphere fluids from a modified fundamental-measure theory”, Journal of Chemical Physics, 117, 22, 10156-10164, 2002.

    22. Y. Yu, J. Wu, “Density functional theory of inhomogeneous mixtures of polymeric fluids”, Journal of Chemical Physics, 117, 5, 2368-2376, 2002.

    21. Y. Yu, J. Wu, “Fundamental-measure theory for inhomogeneous associating fluids”, Journal of Chemical Physics, 116, 16, 7094-7103, 2002.

    20. A. Striolo, D. Bratko, J. Wu, N. Elvassore, H.W. Blanch, J.M. Prausnitz, “Forces between aqueous nonuniformly charged colloids from molecular simulation”, Journal of Chemical Physics, 116, 17, 7733-7743, 2002.

    19. D. Bratko, A. Striolo, J. Wu, H.W. Blanch, J.M. Prausnitz, “Orientation-averaged pair potentials between dipolar proteins or colloids”, Journal of Physical Chemistry B, 106, 10, 2714-2720, 2002.

    18. J. Wu, J.M. Prausnitz, “Generalizations for the potential of mean force between two isolated colloidal particles from Monte Carlo simulations”, Journal of Colloid and Interface Science, 252, 326-330, 2002.

    17. J. Wu, J.M. Prausnitz, “Phase equilibria in a system of “breathing” molecules”, Fluid Phase Equilibria, 194, 689-700, 2002.

    16. J. Wu, D. Bratko, H.W. Blanch, J.M. Prausnitz, “Effect of three-body forces on the phase behavior of charged colloids”, Journal of Chemical Physics, 113, 8, 3360-3365, 2000.

    15. J. Wu, D. Bratko, H.W. Blanch, J.M. Prausnitz, “Interaction between oppositely charged colloidal particles”, Physical Review E, 62, 4, 5273-5280, 2000.

    14. J.M Prausnitz, J. Wu, D. Bratko, H.W. Blanch, “Resolving a mysterious particle attraction in colloids”, ENVISION, 16, 4, 18-19, 2000.

    13. J. Wu, J.M. Prausnitz, A. Firoozabadi, “Molecular thermodynamics of asphaltene precipitation in reservoir fluids”, AIChE Journal, 46, 1, 197-209, 2000.

    12. J. Wu, D. Bratko, H.W. Blanch, J.M. Prausnitz, “Monte Carlo simulation for the potential of mean force between ionic colloids in solutions of asymmetric salts”, Journal of Chemical Physics, 111, 15, 7084-7094, 1999.

    11. J. Wu, J.M. Prausnitz, “Osmotic pressures of aqueous bovine serum albumin solutions at high ionic strength”, Fluid Phase Equilibria, 155, 1, 139-154, 1999.

    10. J. Wu, D. Bratko, J.M. Prausnitz, “Interaction between like-charged colloidal spheres in electrolyte solutions”, Proceedings of National Academy of Science of the United States, 95, 15169-15172, 1998.

    9. J. Wu, J.M. Prausnitz, A. Firoozabadi, “Molecular-thermodynamic framework for asphaltene-oil equilibria”, AIChE Journal, 44, 5, 1188-1199, 1998.

    8. J. Wu, J.M. Prausnitz, “Phase equilibria for systems containing hydrocarbons, water and salt: An extended Peng-Robinson equation of state”, Industrial & Engineering Chemistry Research, 37, 5, 1634-1643, 1998.

    7. J. Wu, A.P. Sassi, H.W. Blanch, J.M. Prausnitz, “Partitioning of proteins between an aqueous solution and a weakly-ionizable polyelectrolyte hydrogel”, Polymer, 37, 21, 4803-4808, 1996.

    6. J. Wu, J. Lu, Y. Li, “Application of the new perturbation method to predict densities of single electrolyte aqueous solutions”, Fluid Phase Equilibria, 107, 45-49, 1995.

    5. J. Wu, J. Lu, Y. Li, “An equation of state for chain molecules using perturbation theory”, Journal of Chemical Engineering of Chinese Universities (Chinese), 9, 1, 1-8, 1995.

    4. J. Wu, J. Lu, Y. Li, “Study on perturbation theory for polar fluids”, Journal of Tsinghua University (Sci & Tech) (Chinese), 35, 3, 87-93, 1995.

    3. J. Wu, J. Lu, Y. Li, “A molecular-thermodynamic model for water based on perturbation theory”, Journal of Chemical Industry and Engineering (Chinese), 45, 6, 658-664, 1994.

    2. J. Wu, J. Lu, Y. Li, “Perturbation theory of electrolyte solutions”, Journal of Chemical Industry and Engineering (Chinese), 45, 2, 168-175, 1994.

    1. J. Wu, J. Lu, Y. Li, “A new perturbation method for electrolyte solutions based on MSA”, Fluid Phase Equilibria, 101, 121-136, 1994.