2011年度计算科学报告

序号

报告题目

报告人

报告人单位

邀请人

时间

1

Development of AMBER protein force fields and bio-applications of all-atom molecular dynamics simulations

吴春

University California Santa Barbara

徐昕

2011.5.26

2

Theoretical study of spectroscopy in protein folding

庄巍

中科院大连化物所

徐昕

2011.4.21

3

Application of enhanced sampling method  in the molecular simulation of protein folding

高毅勤

北京大学

徐昕

2011.4.21

4

First principle study on solar energy conversion materials

蒋鸿

北京大学

徐昕

2011.4.21

5

Computational analysis of Enzyme catalysis and dynamics

Qiang Cui

Univ. of Wisc., Madison

徐昕

2011.7.1

6

Designing nanostructures for hydrogen storage

G.P. Das

Indian Association for the Cultivation of Science

龚新高

2011.5.20

7

Ab initio design of novel nanomaterials using doping and nanocoating

Vijay Kumar

Dr. Vijay Kumar Foundation

龚新高

2011.3.29

8

Physics and Applications of Spin Hall Effect

郭光宇

国立台湾大学

龚新高

2011.7.8

9

Electronic Structure and Optical Response of Low-dimensional Structures

Li Yang

Washington University in St Louis

龚新高

2011.5.31

10

Evolutionary crystal structure prediction: road to the discovery of new materials

Artem R. Oganov

State University of New York

向红军

2011.8.15

11

Multiscale Simulation of Biomolecular Complexes

马剑鹏

Baylor College of Medicine and Rice University

韦广红

2011.5.6

12

Recent progress in computational electronics: disorder effects in nonequilibrium quantum transport

Guo Hong

加拿大Mcgill大学

杨中芹

2011.9.9

13

Chemical functionalization of graphene

Olle Eriksson

Astronomy, Uppsala University

杨中芹

2011.11.10

14

Genetic Algorithm method for Structure Prediction and Materials Discovery

Caizhuang Wang

Iowa State University

龚新高

2011.12.15

15

Density functional analysis of the magnetic and electronic properties of several magnetic solids: Apparently puzzling observations

M.-H. Whangbo

North Carolina State University

向红军

2011.12.16