Yanting Wang's Publications Yanting Wang's Publications

最小化 最大化


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2021 (1)
2020 (8)
2019 (3)
2018 (6)
2017 (7)
2016 (9)
2015 (5)
2014 (6)
2013 (6)
2012 (4)
2011 (5)
2010 (3)
2009 (4)
2008 (3)
2007 (4)
2006 (2)
2005 (4)
2004 (1)
2003 (1)
In Chinese (8)
Book & Chapters (6)

Appear Soon

Gaspard Junot, Xuefeng Wei, Jordi Ortin, Ramin Golestanian, Yanting Wang, Pietro Tierno, Fanlong Meng, Elastically-Mediated Collective Organisation of Magnetic Microparticles in preparation.
Gan Ren, Yanting Wang, Illusive Breakdown of the Stokes-Einstein Relation in Supercooled Water submitted.


Xuefeng Wei, Yanting Wang, Folding Nucleus and Unfolding Dynamics of Protein 2GB1 Chin. Phys. B 30, 028703 (5 pages) (2021). PDF


Li Deng, Yanting Wang, Multiscale Computational Prediction of β-Sheet Peptide Self-Assembly Morphology Molecular Simulation (invited paper)   doi: 10.1080/08927022.2020.1738426 (2020). PDF
Xuefeng Wei, Jiajia Zhou, Yanting Wang, Fanlong Meng, Modelling Elastically-Mediated Liquid-Liquid Phase Separation Phys. Rev. Lett.  125, 268001 (2020). PDF
Ming-Zhe Shao, Yanting Wang, Xin Zhou, Fast and Accurate Determination of Phase Transition Temperature via Individual Generalized Canonical Ensemble Simulation Chin. Phys. B 29, 80505 (2020). PDF
Jie Yao, Yanting Wang, Statistical Mechanics of a Steady-State Classical Particle System Driven by a Constant Force Commun. Theor. Phys. 72, 115601 (2020). PDF
Shen Li, Niloufar Safari, Giacomo Saielli, Yanting Wang, Liquid-Liquid Phase Separation of Viologen Bistriflimide/Benzene Mixtures: Role of the Dual Ionic and Organic Nature of Ionic Liquids J. Phys. Chem. B 124, 7929-7937 (2020). PDF
Mao Su, Yanting Wang, A Brief Review of Continuum Models for Ionic Solutions: the Poisson-Boltzmann and Related Theories Commun. Theor. Phys. 72, 067601 (10 Pages) (2020). PDF
Yufan Zhou, Mao Su, Xiaofei Yu, ..., Yanting Wang, et al., Real-time Mass Spectrometric Characterization of the Solid-Electrolyte-Interphase of a Lithium-Ion Battery Nat. Nanotechnol. 15224 (8 pages) (2020). PDF
Wudi Cao, Beeran Senthilkumar, Valerio Causin, Vincent P. Swamy, Yanting Wang, Giacomo Saielli, Influence of the Ion Size on the Stability of the Smectic Phase of Ionic Liquid Crystals Soft Matter 16, 411-420 (2020). PDF


Shen Li, Yanting Wang, Percolation Phase Transition from Ionic Liquids to Ionic Liquid Crystals Sci. Rep. 9, 13169 (8 pages) (2019).  PDF arXiv:1808.01396
Mao Su, Zhijie Xu, Yanting Wang, Possion-Boltzmann Theory with Non-Linear Ion Correlations J. Phys.: Condens. Matter 31, 355101 (8 pages) (2019). PDF arxiv:1711.04949
Wudi Cao, Yanting Wang, Phase Behaviors of Ionic Liquids Heating from Different Crystal Polymorphs toward the Same Smetic-A Ionic Liquid Crystal by Molecular Dynamics Simulation Crystals 9, 26 (14 pages) (2019). (invited paper) PDF


Shen Li, Giacomo Saielli, Yanting Wang, Aggregation Behavior of Dihexadecylviologen Bistriflimide Ionic Liquid Crystal in Different Solvents: Influence of Polarity and Concentration Phys. Chem. Chem. Phys. 20, 22730-22738 (2018). PDF
Gan Ren, Lin Chen, Yanting Wang, Dynamic Heterogeneity in Aqueous Ionic Solution Phys. Chem. Chem. Phys. 20, 21313-21324 (2018). PDF
Langli Luo, Mao Su, Pengfei Yan, ..., Yanting Wang, et al., Atomic Origins of Water-Vapor-Promoted Alloy Oxidation Nat. Mater. 17, 514-518 (2018). PDF
Yanyan Zhang, Mao Su, ..., Yanting Wang, et al., Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS Anal. Chem. 90, 3341-3348 (2018). PDF
Wudi Cao, Yanting Wang, Giacomo Saielli, Metastable State during Melting and Solid-Solid Phase Transition of [CnMim][NO3] (n=4-12) Ionic Liquids by Molecular Dynamics Simulation J. Phys. Chem B 122, 229-239 (2018). (highlighted) PDF  Supporting Information
Chengxin Zhang, S. M. Mortuza, Baoji He, Yanting Wang, Yang Zhang, Template-Based and Free Modeling of I-TASSER and QUARK Pipelines Using Predicted Contact Map in CASP12 Proteins: Struct., Funct., Bioinf. 86, 136-151 (2018). PDF


Li Deng, Yurong Zhao, Peng Zhou, Hai Xu, Yanting Wang, Anisotropic Formation Mechanism and Nanomechanics for the Self-Assembly Process of Cross-Beta Peptides Chin. Phys. B 26, 128701 (14 pages) (2017). PDF
Rui Shi, Yanting Wang, Surface Structure of Ionic Liquids under an External Electric Field Mol. Simul. 43, 1295-1299 (2017). PDF
Baoji He, S. M. Mortuza, Yanting Wang, Hongbin Shen, Yang Zhang, NeBcon: Protein Contact Map Prediction Using Neural Network Training Coupled with Naive Bayes Classifiers Bioinformatics 33, 2296-2306 (2017). PDF Supporting Information
Yongshun Song, Xin Zhou, Weimou Zheng, Yanting Wang, Stabilities and Dynamics of Protein Folding Nuclei by Molecular Dynamics Simulation Commun. Theor. Phys. 68, 137-148 (2017). PDF
Guankui Long, Rui Shi, ..., Yanting Wang, Yongsheng Chen, Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency J. Phys. Chem. C 121, 5864-5870 (2017). PDF Supporting Information
Zicong Zhou, Yanting Wang, Thermal Properties of a Two-Dimensional Intrinsically Curved Semiflexible Biopolymer Chin. Phys. B 26, 038701 (6 pages) (2017). PDF
Baoji He, Yanting Wang, Moderate Point: Balanced Entropy and Enthalpy Contributions in Soft Matter Chin. Phys. B 26, 030506 (9 pages) (2017). PDF arXiv: 1510.04394


Li Deng, Yurong Zhao, Peng Zhou, Hai Xu, Yanting Wang, Modulation of Intra- and Inter-Sheet Interactions in Short Peptide Self-Assembly by Acetonitrile in Aqueous Solution Chin. Phys. B 25, 128704 (12 pages) (2016). PDF
Pedro E. Ramirez-Gonzalez, Luis E. Sanchez-Diaz, Magdaleno Medina-Noyola, Yanting Wang, Communication: Probing the Existence of Partially-Arrested States in Ionic Liquids J. Chem. Phys. 145,191101 (4 pages) (2016). (Cover Story) PDF
Giacomo Saielli, Yanting Wang, Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model J. Phys. Chem. B 120, 9152-9160 (2016). PDF
Pedro E. Ramirez-Gonzalez, Gan Ren, Giacomo Saielli, Yanting Wang, Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation J. Phys. Chem. B 120, 5678-5690 (2016). PDF
Peng Zhou, Li Deng, Yanting Wang, Jian R. Lu, Hai Xu, Interplay between Intrinsic Conformational Propensities and Intermolecular Interactions in Self-Assembly of Short Surfactant-Like Peptides Composed of Luecine/Isoluecine Langmuir 32, 4662-4672 (2016). PDF
Biao Wan, Cheng Yang, Yanting Wang, Xin Zhou, Jarzynski Matrix Equality: Calculating the Free-Energy Difference by Nonequilibrium Simulations with an Arbitrary Initial Distribution Phys. Rev. E 93, 043312 (7 pages) (2016). PDF
Cheng Yang, Biao Wan, Shun Xu, Yanting Wang, Xin Zhou, Equilibrium Sampling by Reweighting Non-Equilibrium Simulation Trajectories Phys. Rev. E 93, 033309 (9 pages) (2016). PDF
Rui Shi, Yanting Wang, Dual Ionic and Organic Nature of Ionic Liquids Sci. Rep. 6, 19644 (12 pages) (2016). PDF Supporting Information
Peng Zhou, Li DengYanting Wang, Jian R. Lu, Hai Xu, Different Nanostructures Caused by Competition of Intra- and Inter-<beta>-Sheet Interactions in Hierarchical Self-Assembly of Short Peptides J. Colloid Interface Sci. 464, 219-228 (2016). PDF Supporting Information


Gan Ren, Yanting Wang, Saturated Sodium Chloride Solution under an External Static Electric Field: A Molecular Dyanmics Study Chin. Phys. B 24, 126402 (8 pages) (2015). PDF arXiv: 1505.00347
Guankui Long, Ailin Li, Rui Shi, Ye-cheng Zhou, Xuan Yang, Yi Zuo, Wei-Ru Wu, U-Ser Jeng, Yanting Wang, Xianjian Wang, Panwen Shen, Hao-li Zhang, Tianying Yan, Yongsheng Chen, The Evidence for Fullerene Aggregation in High-Performance Small-Molecule Solar Cells by Molecular Dyanmics Simulation Adv. Electron. Mater. 1500217 (6 pages) (2015). PDF
Li Deng, Yurong Zhao, Hai Xu, Yanting Wang, Intrinsic Defect Formation in Peptide Self-Assembly Appl. Phys. Lett. 107, 043701 (2015).  PDF arXiv:1501.02050
Shun Xu, Xin Zhou, Yi Jiang, Yanting Wang, Fast Adaptive Flat-histogram Ensemble to Enhance the Sampling in Large Systems Sci. China-Phys., Mech. Astron. 58, 590501 (6 pages) (2015). PDF
Giacomo Saielli, Alessandro Bagno, Yanting Wang, Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation J. Phys. Chem. B 119, 3829-3836 (2015). PDF


Gan RenYanting Wang, Reversible Transient Nucleation in Ionic Solutions as the Precursor of Ion Crystallization EPL 107, 30005 (5 pages) (2014). PDF arXiv:1312.2711 .
Li Deng, Peng Zhou, Yurong Zhao, Yanting Wang, Hai Xu, Molecular Origin of the Self-Assembled Morphological Difference Caused by Varying the Order of Charged Residues in Short Peptides J. Phys. Chem. B 118, 12501-12510 (2014). PDF Supporting Information
Rui ShiYanting Wang, One-Dimensional Steady Transport by Molecular Dynamics Simulation: Non-Boltzmann Position Distribution and Non-Arrhenius Dynamical Behavior Commun. Theor. Phys. 62, 579-588 (2014). PDF arXiv:1408.6031
Gan RenRui ShiYanting WangStructural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field J. Phys. Chem. B 118, 4404-4411 (2014). PDF
Kuo Wei, Li DengYanting Wang, Zhong-can Ou-Yang, Guodong Wang, Effect of Side-Chain Length on Structural and Dynamic Properties of Ionic Liquids with Hydroxyl Cationic Tails J. Phys. Chem. B 118, 3642-3649 (2014). PDF Supporting Information
Xiaohu Zhang, Ming Li, Yanting Wang, Zhong-can Ou-Yang, Formation and Dissociation of Protonated Cytosine-Cytosine Base Pairs in I-Motifs by Ab Initio Quantum Chemical Calculations Chin. Phys. B23, 020702 (4 pages) (2014). PDF

2013 [Top]

Yurong Zhao, Jiqian Wang, Li Deng, Peng Zhou, Shengjie Wang, Yanting Wang, Hai Xu, Jian R. Lu, Tuning the Self-assembly of Short Peptides via Sequence Variations Langmuir29, 13457-13464 (2013). PDF Supporting Information
Qiang Zhou, Boyang Wang, Peijie Wang, Christoph Dellago, Yanting Wang, Yan Fang, Nanoparticle-Based Crystal Growth via Multistep Self-Assembly CrystEngComm 15, 5114-5118 (2013). PDF
Giacomo Saielli, Gregory A. Voth, Yanting WangDiffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations Soft Matter 9, 5716-5725 (2013). PDF
Rui ShiYanting WangIon-Cage Interpretation for the Structural and Dynamic Changes of Ionic Liquids under an External Electric Field J. Phys. Chem. B 117, 5102-5112 (2013). PDF Supporting Information
Li DengRui ShiYanting Wang, Zhong-Can Ou-Yang, Hydrogen-Bond Rich Ionic Liquids with Hydroxyl Cationic Tails Chem. Phys. Lett. 560, 32-36 (2013). PDF Supporting Information
Yumeng JiRui ShiYanting Wang, Giacomo Saielli, Effect of the Chain Length on the Structure of Ionic Liquids: from Spatial Heterogeneity to Ionic Liquid Crystals J. Phys. Chem. B 117, 1104-1109 (2013). PDF

2012 [Top]

Boyang WangLi DengYanting WangCompetition between Attraction and Diffusion in Nanoscale Non-Equilibrium Aggregation Sci. China-Phys., Mech. Astron. 55, 2237-2243 (2012). PDF
Li DengYanting Wang, Zhong-can Ou-yang, Diffusion-Limited Aggregation with Polygon Particles Commun. Theor. Phys. 58, 895-901 (2012). PDF  arXiv:1209.5958
Shiguo Zhang, Rui Shi, Xiangyuan Ma, Liujin Lu, Yude He, Xiaohu ZhangYanting Wang, Youquan Deng, Intrinsic Electric Fields in Ionic Liquids Determined by Vibrational Stark Effect Spectroscopy and Molecular Dynamics Simulations Chem. Euro. J. 18, 11904-11908 (2012). (Cover Story) PDF Supporting Information
Li DengYanting Wang, Zhong-can Ou-Yang, Concentration and Temperature Dependences of Polyglutamine Aggregation by Multiscale Coarse-Graining Molecular Dynamics Simulations J. Phys. Chem. B 116, 10135-10144 (2012). PDF Supporting Information

2011 [Top]

Yanting Wang, Sergey N. Rashkeev, John R. Klaehn, Christopher J. Orme, Eric S. Peterson, Interaction of gas molecules with crystalline polymer separation membranes: Atomic-scale modeling and first-principles calculations J. Membrane Sci. 384, 176-183 (2011). PDF
Yan Yan, Yanting Wang, Xiaowu Zhu, Heterogeneous Responses of Chinese Cities' Housing Prices to Monetary Policies Commun. Theor. Phys. 56, 791-796 (2011). PDF
Haiqing ZhaoRui ShiYanting WangNanoscale Tail Aggregation in Ionic Liquids: Roles of Electrostatic and van der Waals Interactions Commun. Theor. Phys. 56, 499-503 (2011). PDF
Boyang Wang, Maoxin Liu, Yanting Wang, Xiaosong Chen, Structures and Energetics of Silver and Gold Nanoparticles J. Phys. Chem. C 115, 11374-11381 (2011). PDF
Yanting Wang, Nathan O. Hodas, Yousung Jung, R. A. Marcus, Microscopic structure and dynamics of air/water interface by computer simulations—comparison with sum-frequency generation experiments Phys. Chem. Chem. Phys. 13, 5388-5393 (2011). PDF Additions and Corrections

2010 [Top]

Yanting Wang, Gregory A. Voth, Molecular Dynamics Simulations of Polyglutamine Aggregation Using Solvent-Free Multiscale Coarse-Grained Models J. Phys. Chem. B114, 8735-8743 (2010). PDF
Tianying Yan, Yanting Wang, Craig Knox, On the Dynamics of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models II J. Phys. Chem. B 114, 6886-6904 (2010). PDF
Tianying Yan, Yanting Wang, Craig Knox, On the Structure of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models I J. Phys. Chem. B114, 6905-6921 (2010). PDF

2009 [Top]

Yanting WangDisordering and Reordering of Ionic Liquids under an External Electric Field J. Phys. Chem. B 113, 11058-11060 (2009). PDF
Yanting Wang, Sergey N. Rashkeev, Melting Phase Transitions and Catalytic Activity of Bilayer Gold Nanoclusters J. Phys. Chem. C 113, 10517-10520 (2009). PDF
Yanting Wang, Shulu Feng, and Gregory A. Voth, Transferable Coarse-Grained Models for Ionic Liquids J. Chem. Theory Comput. 5, 1091-1098 (2009). PDF
Yanting Wang, W. G. Noid, Pu Liu, and Gregory A. Voth, Effective Force Coarse-Graining Phys. Chem. Chem. Phys. 11, 2002-2015 (2009). PDF Supporting Information

2008 [Top]

Will G. Noid, Pu Liu, Yanting Wang, et al., The Multiscale Coarse-Graining Method. II. Numerical Implementation for Coarse-Grained Molecular Models J. Chem. Phys. 128, 244115 (20 pages) (2008). PDF
Wei Jiang, Tianying Yan, Yanting Wang, and Gregory A. Voth, Molecular Dynamics Simulation of the Energetic Room-Temperature Ionic Liquid, 1-Hydroxyethyl-4-amino-1,2,4-triazolium Nitrate (HEATN) J. Phys. Chem. B 112, 3121-3131 (2008). PDF
Wei Jiang, Yanting Wang, Tianying Yan, and Gregory A. Voth, A Multiscale Coarse-Graining Study of the Liquid/Vacuum Interface of Room-Temperature Ionic Liquids with Alkyl Substituents of Different LengthsJ. Phys. Chem. C 112, 1132-1139 (2008). PDF

2007 [Top]

Yanting Wang, Wei Jiang, Tianying Yan, and Gregory A. Voth, Understanding Ionic Liquids through Atomistic and Coarse-Grained Moleclar Dynamics Simulations Acc. Chem. Res.40, 1193-1199 (2007). PDF
Wei Jiang, Yanting Wang, and Gregory A. Voth, Molecular Dynamics Simulation of Nanostructural Organization in Ionic Liquid/Water Mixtures J. Phys. Chem. B111, 4812-4818 (2007). PDF
Yanting Wang, S. Teitel, and Christoph Dellago, Effect of Surface Structure on Shape Transformation of Gold Nanorods J. Comput. Theor. Nanosci. 4, 282-290 (2007). PDF
Yanting Wang, Wei Jiang, and Gregory A. Voth, Spatial Heterogeneity in Ionic Liquids, in Ionic Liquids IV. Not just Solvents Anymore, Brennecke, J.F.; Rogers, R.D.; Seddon, K.R. (Eds.); ACS Symposium Series 975; American Chemical Society: Washington DC, 2007. PDF

2006 [Top]

Yanting Wang and Gregory A. Voth, Tail Aggregation and Domain Diffusion in Ionic Liquids J. Phys. Chem. B 110, 18601 (2006). PDF
Yanting Wang, Sergei Izvekov, Tianying Yan, and Gregory A. Voth, Multiscale Coarse-Graining of Ionic Liquids J. Phys. Chem. B 110, 3564-3575 (2006). PDF Supporting Information

2005 [Top]

Yanting Wang and Gregory A. Voth, Unique Spatial Heterogeneity in Ionic Liquids J. Am. Chem. Soc. 127, 12192-12193 (2005). PDF
Violeta Gotcheva, Yanting Wang, Albert T. J. Wang, and S. Teitel, Continuous Time Monte Carlo and Spatial Ordering in Driven Lattice Gases: Application to Driven Vortices in Superconducting Networks Phys. Rev. B 72, 064505 (2005). PDF
Yanting Wang, S. Teitel, and Christoph Dellago, Surface Driven Bulk Reorganization of Gold Nanorods Nano Lett. 5, 2174-2178 (2005). PDF
Yanting Wang, S. Teitel, and Christoph Dellago, Melting of Icosahedral Gold Nanoclusters from Molecular Dynamics Simulations J. Chem. Phys. 122, 214722-214738 (2005). PDF

2004 [Top]

Yanting Wang, S. Teitel, and Christoph Dellago, Melting and Equilibrium Shape of Icosahedral Gold Nanoparticles Chem. Phys. Lett. 394, 257-261 (2004). PDF

2003 [Top]

Yanting Wang and Christoph Dellago, Structural and Morphological Transitions in Gold Nanorods: A Computer Simulation Study J. Phys. Chem. B 107, 9214-9219 (2003).PDF

In Chinese [Top]

Boyang WangYanting Wang DFT Study of Ethane Thiol Adsorption on Gold Surfaces e-Science Technology & Application 3, 39-45 (2012).
Yanting Wang, Yongming Zhang, Guangxuan Liao, et al.The Principle and Realization of Digital Particle Image Velocimetry J. China U. Sci. Tech. 30, 302 (2000).
Yongming Zhang, Yu Wang, Ruisheng Wu, Yanting Wang, and Xinyu Liu, The Waterpreadding and Ball-Forming System of Cement Factory Based on Nuclear Scale Nucl. Elec. Detec. Tech. 20, 99 (2000).
Yanting Wang, Yongming Zhang, and Guangxuan Liao, FFT Cross-Correlation Algorithm for DPIV J. China U. Sci. Tech. 29, 316 (1999).
Yanting Wang, Yongming Zhang, and Guangxuan Liao, Design of Turbulent Flame Temperature Measurement System Using Fine Thermocouple Appl. Elec. Tech. 25, 33 (1999).
Yanting Wang, Yongming Zhang, and Maozhou Liu, KD-418 XVI Microcomputer Nuclear Weight Scale for Staple Compounding System Nucl. Elec. Detec. Tech. 18, 445 (1998).
Yanting Wang, Yongming Zhang, Yu Wang, and Dongping Jin, Software in Windows for Staple Compounding System of Microcomputer Nuclear Weight Scale Nucl. Elec. Detec. Tech. 18, 275 (1998).
Yanting Wang, Yongming Zhang, and Guangxuan Liao, The Design of CCD Camera Shutter Controller in DPIV Appl. Elec. Tech. 24, 42 (1998).

Book & Chapters[Top]

Xin Zhou, Yanting Wang, et al., Molecular Modeling and Simulation in Soft Matter Physics(软物质物理--建模与模拟). 2020. (in Chinese)
Chenyu Tang, Yanting Wang, Basics of Molecular Modeling and Molecular Simulation in "Fundamentals and Fronter of Current Soft Matter Research". 2020.
Rui Shi, Yanting Wang, Dual Ionic and Organic Nature of Ionic Liquids in "Encyclopedia of Ionic Liquids". 2019.
Yanting Wang, some items in "Chinese Encyclopedia of Chemistry"(中国化学大百科). 2017. (in Chinese)
Yanting Wang, Qiang Shi, Concepts of Coarse-Graining Theories (粗粒化理论思想)in "Chinese Science Development Strategy: Theoretical and Computational Chemistry"(中国学科发展战略:理论与计算化学). 2016. (in Chinese)
Yanting Wang's Ph.D. thesis, Rochester, NY 2004. PDF