Chen, Bin - Louisiana State University - Department of Chemistry

个人简介

Bachelor's Degree(s): Peking University, 1996 PhD: University of Minnesota, 2001 PostDoc: University of Pennsylvania, 2001-2003

研究领域

Among the greatest challenges for molecular simulation are the limited time and spatial scales that can be afforded using the current computer technology and simulation algorithms, especially when applied to complex biochemical problems. The goals of our research are to greatly expand the territory accessible to molecular simulation by circumventing these constraints and to develop an atom-based approach that can be used as a practical tool to provide important molecular-level information for long time-scale events of chemical, biological, and environmental interest. This research direction is fueled by our recent development of an aggregation-volume-bias Monte Carlo based technique that led to a series of successful studies of rare vapor-liquid nucleation events. Given that nucleation can be viewed as a common theme between the long time-scale events involved in phase transitions and those occurring in a broad range of biochemical systems (such as self-assembly and folding) due to the strong resemblance of their thermodynamic and kinetic characteristics, we see an opportunity to extend the methodology developed here to a wide range of challenging long time-scale problems. Some of this work has been featured as cover-pages of both June 14, 2007 and January 28, 2008 issues of Physical Chemistry Chemical Physics, and both June 18, 2009 and September 2, 2010 issues of Journal of Physical Chemistry C.

近期论文

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T.D. Loeffler, A.C. Galatas, and B. Chen, ‘Obtaining high-quality crystals via conformational constraint: A single-step crystallization mechanism in two dimensional systems’, submitted for publication (2014). A. Sepehri, T.D. Loeffler, and B. Chen, ‘Improving the efficiency of configurational-bias Monte Carlo: A density-guided method for generating bending angle trials for linear and branched molecules’, J. Chem. Phys.141, 074102 (2014). H. Kim, S.J. Keasler, and B. Chen, ‘A nucleation-based approach to the study of hydrophobic interactions under confinement: Enhanced hydrophobic interactions driven by energetic contributions’, J. Phys. Chem. B118, 6875-6884 (2014). T.D. Loeffler and B. Chen, ‘Surface induced nucleation of a Lennard-Jones system on an implicit surface at sub-freezing temperatures: A comparison with the classical nucleation theory’, J. Chem. Phys.139, 234707 (2013). T.D. Loeffler, D.E. Henderson, and B. Chen, ‘Vapor-liquid nucleation in two dimensions: On the intriguing sign switch of the errors of the classical nucleation theory’, J. Chem. Phys.137, 194304 (2012). S.J. Keasler, H. Kim, and B. Chen, ‘Sign preference in ion-induced nucleation: Contributions to the free energy barrier’, J. Chem. Phys.137, 174308 (2012). S.J. Keasler, H. Kim, and B. Chen. Ion-induced nucleation: Importance of ionic polarizability.J. Phys. Chem. A, 2010, 114, 4595-4600. R.B. Nellas, S.J. Keasler, J.I. Siepmann, and B. Chen. Exploring the discrepancies between experiment, theory, and simulation for the homogeneous gas-to-liquid nucleation of 1-pentanol. J. Chem. Phys., 2010, 132, 164517. M.J. McGrath, J.N. Ghogomu, T.T. Narcisse, J.I. Siepmann, B. Chen, I. Napari, and H. Vahkamäki. Vapor–liquid nucleation of argon: Exploration of various intermolecular potentials. J. Chem. Phys., 2010, 133, 084106. C.D. Wick, B. Chen, and K.T. Valsaraj. Computational investigation of the influence of surfactants on the air-water interfacial behavior of polycyclic aromatic hydrocarbons. J. Phys. Chem. C, 2010, 114, 14520-14527. J. Gao, R. Ding, Y. Liu, B. Chen, X. Cui, and J.I. Siepmann. Web-based visualization and analysis of atmospheric nucleation processes. International Journal of u- and e- Service, Science and Technology , 2009, 2, art. 3. S.M. Kathmann, G.K. Schenter, B.C. Garrett, B. Chen, and J.I. Siepmann. Thermodynamics and Kinetics of Nanoclusters Controlling Gas-to-Particle Nucleation. J. Phys. Chem. C, 2009, 113, 10354-10370. B. Chen, R.B. Nellas, and S.J. Keasler. Fractal aggregates in protein crystal nucleation. J. Phys. Chem. B, 2008, 112, 4725-4730. R.B. Nellas, S.J. Keasler, and B. Chen. Molecular content and structure of aqueous organic nanodroplets from the vapor-liquid nucleation study of the water/n-nonane/1-alcohol series. J. Phys. Chem. A, 2008, 112, 2930-2939 R.B. Nellas and B. Chen. Towards understanding the nucleation mechanism for multi-component systems: An atomistic simulation of the ternary nucleation of water/n-nonane/1-butanol. Phys. Chem. Chem. Phys., 2008, 10, 506-514 B. Chen, H. Kim, S.J. Keasler, and R.B. Nellas. An aggregation-volume-bias Monte Carlo investigation on the condensation of a Lennard-Jones vapor and crystal nucleation in cluster systems: An in-depth evaluation of the classical nucleation theory. J. Phys. Chem. B, 2008, 112, 4067-4078