学者来访

2018年度计算科学报告

时间:2019-04-01

实验室邀请国内外学者来室做计算报告18人次。

 

序号

报告题目

报告人

工作单位

时间

1

Electric control of magnetism and energy storage in rare-earth-substituted BiFeO3

许彬

University of Arkansans

2018.4.13

2

Linear-response GW perturbation theory for electron-phonon coupling: theory and application

李争路

University of California

2018.4.27

3

Non-Adiabatic Molecular Dynamics Investigations on the Excited Carrier Dynamics

赵瑾

中国科学技术大学

2018.5.2

4

过渡金属氧化物低维结构的磁性

翟晓芳

中国科学技术大学

2018.5.2

5

拓扑半金属材料预测与物性研究

姚裕贵

北京理工大学

2018.5.22

6

Transition Metal Dichalcogenides with Multifaceted Topological Phases and Topological Transport Phenomena

Binghai Yan

Weizmann Institute of Science

2018.7.26

7

Accelerated Discovery and Design of Perovskite-Based Advanced Functional Materials

Kesong Yang

University of California San Diego

2018.8.1

8

晶体空间群的不可约表示

马中骐

中国科学院高能物理研究所

2018.9.26

9

Quantum Chemical Modeling of Enzymatic and Homogeneous Catalysis

Fahmi Himo

Arrhenius Laboratory Stockholm University

2018.11.29

10

N-Glycans's role in antibody allosteric signal transduction

Abstract:

Buyong Ma

National Cancer Insitute

2018.12.5

11

North Carolina State University

M.-H. Whangbo

North Carolina State University

2018.12.18

12

New quantum mechanics based methods for multiscale

simulations with applications to reaction mechanisms for

electrocatalysis (waters splitting, CO2 reduction, O2

reduction), ammonia synthesis, alkane selective oxidation

William A. Goddard III

California Institute of Technology

2018.9.6

13

k-projection能带反折叠方法及其在界面结构中的应用

陈明星

湖南师范大学物理与电子学院

2018.10.25

14

Understand Binding Kinetics of Membrane Receptors and Their Functional Roles in Cell adhesion and Signaling by Multi-scale Modeling

吴颖灏

Albert Einstein College of Medicine,USA

2018.6.27

15

Computer Aided Drug Design (CADD) targeting Virus, cancers and signal transduction pathways

  

Rowan University, USA

2018. 8.3

16

Quantum Chemical Modeling of Enzymatic and Homogeneous Catalysis

Fahmi Himo

斯德哥尔摩大学

2018.11.29

17

Aromaticity in Organometallics and Its Application in N2 Activation

朱军

厦门大学

2018.09.19

18

 Probing fundamental electrochemical processes with vibrational sum frequency (SFG) spectroscopy

仝玉进

 Fritz Haber Institute of the Max Planck Society

2018.10.19