2016 International Workshop on Computational Materials in Guangzhou

Dec. 15-17, 2016, Guangzhou China

 

 


Dear Sir/Madam,

 

Welcome to 2016 International Workshop on Computational Materials in Guangzhou, which is organized by School of Physics and Optoelectronics, South China University of Technology (SCUT). The workshop is dedicated to recent progress on computational materials, and an effective platform to exchange views on various research topics from the international computational community. The oral presentations are scheduled around 30 minutes, and the poster is designed to be 90cm x 60cm (size).

 

The workshop will be held on December 15-17 at Zhujiang Hotel , with registration on 15th and scientific programs on 16-17th. Abstracts on computational materials for oral presentations or posters are welcome until December 5th, 2016. All participants are suggested to send their schedules for the hotel reservation. Please send the abstracts and schedules directly to Prof. Xiao-Bao YangSCUT by emailscxbyang@scut.edu.cn.

 

Yours sincerely,

 

School of Physics and Optoelectronics, SCUT

 


 

 

Dec. 15th 2016, Thursday

Zhujiang Hotel, Registration at 3pm-8pm

Dinner: Buffet 17:30-19:30/Room Longfeng (First floor)

Dec. 16th 2016, Friday, 8:4511:50 a.m.

845~900

Opening Ceremony/Conference Room II (same room for all Sessions)

Session-1

Chair: Yu-Jun Zhao

9:00-9:30

 

Su-Huai WeiBeijing Computational Science Research Center, China

Design of 2D Materials for Energy Applications

9:30-10:00

Priya MahadevanBose National Center for Basic Sciences, India

What drives the direct to indirect band gap transition in transition metal dichalcogenides?

10:00-10:30

Group Photo &Tea Break

Session-2

 Chair: Priya Mahadevan

10:30-11:00

Tamio OguchiOsaka University, Japan

Ab-initio Materials Exploration of Piezoelectrics

11:00-11:30

Zhe Yuan (Beijing Normal University, China)

Ab initio description of spin dissipation in magnetic heterostructures

11:30-12:00

Yu-Jun ZhaoSouth China University of Technology, China

Surface and Interface Effect on Hydrogenation/Dehydrogenation of Mg-H Systems

12:00-1:00 

Lunch/ Room Longfeng (First floor)

 


 

Dec. 16th 2016, Friday, 2:305:20 p.m.

Session-3

Chair: Alister Page

2:30-3:00

Jun-Wei Luo, (Institute of Semiconductors, CAS, China)

Inverse design Si nanostructures for optoelectronic applications

3:00-3:30

Wan-Jian Yin,Soochow University, China

Theoretical Studies of Unusual Electronic Properties in Perovskite Solar Cell Materials

3:30-3:50

Tea Break

Session-4

ChairJun-Wei Luo

3:50-4:20

Alister Page The University of Newcastle, Australia

Density Functional Tight Binding and its Application to Reactions and Interfaces

4:20-4:50

Yue ChenThe University of Hong Kong

Elucidating thermal transport behaviors from anharmonic phonon calculations

4:50-5:20

Jia-Xin ZhengPeking University, China

The role of ab initio calculations in batteries and the National Materials Genome Project in our school

6:00-7:30 

Banquet/ Room Jinshajiang, Room Heilongjiang

 

 

 


 

Dec. 17th 2016, Saturday9:0011:50 a.m.

Session-5

Chair: Tamio Oguchi

9:00-9:30

 

Jun NiTsinghua University, China

Electronic, magnetic and superconducting properties of boron based nanostructures

9:30-10:00

Xiao-Bao YangSouth China University of Technology, China

A bond model for boron nanostructures

10:00-10:20

Tea Break

Session-6

Chair: Feng Ding

10:20-10:50

Cen-Ke Xu  (University of California, Santa Barbara, USA) 

Bosonic Topological Insulator: theory, numerics, and experimental platform.

10:50-11:20

Xiao-Long ZouTsinghua University, China

Topological defects in 2D materials: Structures and Properties

11:20-11:50

Jia-Jun Tang Kansas State University, USA

Computational Catalyst Design for Selective Methane Oxidation Using First-Principles Methods

12:00-1:00 

Lunch/Room Jiuzhou (Second floor)

 

 

 

 

 


 

Dec. 17th 2016Saturday 2:305:30 pm

Session-7

Chair: Cen-Ke Xu

2:30-3:00

Dao-Xin YaoSun Yat-Sen University, China

From disordered Heisenberg chain to amorphous valence-bond solid: a study of quantum Monte Carlo and strong-disorder renormalization group

3:00-3:30

Yao Yao (South China University of Technology, China)

Mechanism of ultrafast long-range charge separation in organic photocells

3:30-3:50

Tea Break/Poster Session

Session-8

Chair: Dao-Xin Yao

4:00-4:30

Feng DingHongkong Polytechnic University, Hongkong

The self-limited growth of graphene

4:30-5:00

Sheng-Jun Yuan (Wuhan University, China)

A New Approach for the Mesoscopic and Macroscopic Modeling of Quantum Systems: Application in 2D Materials

5:50-5:30

Hai-Bin SuNanyang Technological University, Singapore

Multi-Paradigm Simulation at Nanoscale: Application to Low Dimension Materials

6:00-7:30

Dinner

 


 

Transport information

 

1、 AirportZhujiang Hotel

n  By Subway

n  By taxi : around 40 km,130 RMB

 

 

2、 Guangzhou South (Railway Station)Zhujiang Hotel

n  By Subway

n  By taxi: around 25km80RMB