Monday, September 14

08:00 - 08:45 Breakfast
08:45 - 09:00 Welcome address by Jialin Hong, and Benzhuo Lu

Morning Session
Chair: Aihui Zhou

09:00 - 09:45 Deok-Soo Kim (Hanyang University, Korea)
Title: Geometry of Biomolecules via Beta-Complex
09:45 - 10:30 Guowei Wei (Michigan State University, USA)
Title: New Paradigm for Multiscale Modeling and Simulation of Biomolecules

10:30 - 10:45 Photo session
10:45 - 11:15 Break. Coffee/Tea

11:15 - 12:00 Benzhuo Lu (Chinese Academy of Science, Beijing, China)
Title: Simulating Electrostatics and Diffusion Processes at the Molecular Level PDF

12:00 - 14:00 Lunch

Afternoon Session
Chair: Eric Cances

14:00 - 14:45Marcia Fenley (Florida State University, USA)
Title: The Successes and Failures of the Nonlinear Poisson-Boltzmann Equation in Predictin Electrostatic Effects of Charged Ligand-Nucleic Acid Complexes
14:45 - 15:30ILiang Chern (National Taiwan University)
Title:Two Finite Difference Methods for Solving Poisson-Boltzmann Equation PDF

15:30 - 16:00 Break. Coffee/Tea

16:00 - 16:45 Ray Luo (University of California, Irvine, USA)
Title: Poisson-Boltzmann Molecular Dynamics: Theories and Numerical Strategies PPT
16:45 - 17:30 Yuchun Lin (University of North Carolina at Charlotte, USA)
Title: An Image-Based Reaction Field Method for Electrostatic Interactions in Molecular Dynamics Simulations of Aqueous and Ion Pair Solutions PPTX

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Tuesday, September 15

08:00 - 09:00 Breakfast

Morning Session
Chair: Bo Li

09:00 - 09:45 John D. Weeks (University of Maryland, USA)
Title: Short- and Long-Ranged Coulomb Interactions in Models for Ionic Solutions and Water PPT
09:45 - 10:30 Joachim Dzubiella (Technical University of Munich, Germany)
Title: Implicit Modeling of Aqueous and Ionic Solvation in Molecular Confinement

10:30 - 11:00 Break. Coffee/Tea

11:00 - 11:45Masayuki Irisa (Kyushu Institute of Technology, Japan)
Title: Heat Capacity and Conformation of Small Protein PPT

11:45 - 14:00 Lunch

Afternoon Session
Chair: Benzhuo Lu

14:00 - 14:45 Fumio Hirata (National Institute of Natural Science, Japan)
Title: Model Free Solvent Modeling in Chemistry and Biochemistry Based on the Statistical Mechanics of Liquids. PPT
14:45 - 15:30 Benedetta Mennucci (University of Pisa, Italy)
Title: Combined Quantum/Classical Approaches for Biological Systems: the Role of Polarization PDF

15:30 - 16:00 Break. Coffee/Tea

16:00 - 16:45 Daniel Jean Borgis (Ecole Normale Superieure, Paris, France)
Title: Classical Density Functional Theory of Solvation in Molecular Solvents PPT
16:45 - 17:30 Bo Li (University of California, San Diego, USA)
Title: Level-Set Variational Solvation Coupling Solute Molecular Mechanics with Continuum Solvent PDF

18:30 - 20:30 Conference Banquet

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Wednesday, September 16

08:00 - 09:00 Breakfast

Morning Session
Chair: Haiyan Liu

09:00 - 09:45 Zhongcan Ouyang (Chinese Academy of Sciences, Beijing, China)
Title: Mechanics Inspired Bioinformatics: Predicting the Function of Eukaryotic Scaffold/Matrix Attachment
Region by Single Molecule DNA Mechanics PPT
09:45 - 10:30 Jianzhong Wu (University of California, Riverside)
Title: Viral Fugacity PDF

10:30 - 11:10 Break. Coffee/Tea

11:00 - 11:45 Jichen Li (University of Manchester, UK)
Title: Investigate the Interaction of Water with DNA/Proteins and Amino Acids Using Neutron Scattering and Ab Initio Techniques PPT

11:45 - 14:00 Lunch

Afternoon Session
Chair: Luhua Lai

14:00 - 14:45 A. Terrence Conlisk (Ohio State University, USA)
Title: Nanopore Memberanes: Mathematical Models for Ionic and Biomolecular Transport PDF
14:45 - 15:30 Pingwen Zhang (Peking University, China)
Title: Dynamical Modeling and Simulation of Fluid Bio-Membranes PDF

15:30 - 16:00 Break. Coffee/Tea

16:00 - 16:45 Haiyan Liu (University of Science and Technology of China, China)
Title: Coordinates and Pathways in MM and QM/MM modeling PPT
16:45 - 17:30 Xiaolin Cheng (Oak Ridge National Laboratory, USA)
Title: Continuum and Atomistic Modeling of Ion Transport Through Biological Channels PPT

17:30 - 17:45 Workshop adjourn

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Remarks:
1. There will be total 21 talks: 7 talks/day.
2. Day 1 Each talk is of 45 minutes, including a discussion of 5 minutes.
3. In day 1, there will be also a photo session. In day 2, there will be a banquet.
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