Monday, 05/12/2011

8:30 Registration

Chairperson: Arun Yethiraj

08:45-09:00 am

YantingWang

Opening

09:00-10:00 am

Paul S. Cremer

Investigating the binding of anions and cations to polypeptides (PDF)

10:00-11:00am

Wei Zhuang

The mixed effect of KF and KI on the ion clustering in KSCN electrolyte solutions (PDF)

11:00-12:00am

Weijun Zheng

Microscopic solvation of monovalent salts in water: anion photoelectron spectroscopy and ab initio calculations (PDF)

Lunch

Chairperson: Yiqin Gao

14:00-15:00 pm

Pavel Jungwirth

Interactions between ions and proteins in water: the hofmeister series (PDF)

15:00-16:00 pm

Bo Song

Interaction between graphene and DNA sequence in solution, and its application in DNA detection (PDF)

Coffee Break

Chairperson: Benzhuo Lu

16:20-17:20 pm

Yiqin Gao

Effects of salts on water surface tension and structure formation of BBA5 (PDF)

17:20-18:20 pm

Xinzheng Li

Quantum nature of the hydrogen bond: a path-integral molecular dynamics perspective (PDF)

Dinner

Tuesday, 06/12/2011

Chairperson: Paul S. Cremer

09:00-10:00 am

Arun Yethiraj

The thermodynamic driving force for self-assembly in aqueous solutions (PDF)

10:00-11:00 am

Qiang Shi

Theory study of IR and Raman spectra of methanol solutions (PDF)

11:00-12:00 am

Xin Zhou

Construction of meta-stable state networks and multiscale simulations in complex fluid systems (PDF)

Lunch

Chairperson: Pavel Jungwirth

14:00-15:00 pm

Yanting Wang

Structural and dynamical properties of ionic liquids (PDF)

15:00-16:00 pm

Benzhuo Lu

Simulation of electrostatics and diffusion-reaction of biomolecular system in ionic liquid (PDF)

16:00-17:00 pm

Tianying Yan

Molecular dynamics simulation of ionic liquids: the effect of the electronic polarizability (PDF)

Chairperson: Yiqin Gao

17:00-18:00 pm

Free discussion

Dinner

Wednesday,07/12/2011

Discussions in Peking University