8th-ICMS&I Fist Notification

Date: 2016-07-23

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【 8th-ICMS&I Fist Notification】  【8th-ICMS&I Application form】

With the support of experts from various fields, the 8th International Conference of Molecular Simulations and Informatics Technology Application will be held from Sep. 24 to 26 in Dalian.


    I. Conference Overview   

1. Conference Background
The International Conference of Molecular Simulations and Informatics Technology Application (hereinafter referred to as the Conference) is based on the National Molecular Mechanics & Molecular Design Conference dating from the mid-1980’s and NeoTrident User Conference. Seven events have been held since 2000. The 7th Conference was held in Suzhou in 2014, attracting more than 300 domestic and foreign specialists and scholars. The Conference has been acknowledged as a high-level academic event in the field. The 8th Conference will continue to adhere to its spirit and will become a high-level, comprehensive and international event. Relevant content and topics are shown as follows, and we warmly welcome experts and scholars from home and abroad to contribute and attend the Conference.

2. Purpose of the Conference
The Conference is to provide an exchange and cooperation platform for experts and scholars from companies, universities and scientific research institutions engaging in molecular simulation and informatics technology application to discuss the application and development of informatics technology in chemistry, material science and life science and to exchange ideas on how to better utilize informatics technology to promote transformation and innovation in decision-making, management and R&D mode.

3. Conference Themes and Sessions
1) Conference Themes

Molecular simulation and informatics technology has been widely used in innovation research of chemistry, material science and life science and other fields. The main research institutions, universities, multinational corporations at home and abroad, and some domestic companies, involving in pharmaceuticals, biotechnology, pesticides and fine chemicals, aerospace, petrochemical and electronic materials, are applying this technology in innovation research and development in drug discovery, gene evolution and function, new materials of aerospace, ships and vehicles, nanotechnology, efficient catalysts and new functional materials. Currently, the molecular simulation and informatics technology is already a platform-level technology used by experimental scientists and information and computing experts. The research scholars worldwide are trying to promote a combination of computing technology, informatics (digital) technology and experimental technology and then apply it in such research fields as material science and life science in order to speed up R&D of new materials (Materials Genome Initiative) and new drugs. How to use the mass experimental and analog data rationally is a new challenge faced by scholars in the age of big data. Meanwhile, how to build and effectively share predictive models is also a new topic for us in the age of sharing economy. The Conference will make in-depth discussion and extensive exchanges on the application of molecular simulations and informatics technology in scientific research innovation in the age of big data and on how to build a new R&D mode based on modelling.


2) Session Themes

Material Science Session A: Application of Molecular Simulations in Chemistry and Chemical Engineering
1. Catalyst design and catalytic mechanism research

2. Surface and interface chemistry

3. Composition, structure and property design of high polymer material
4. Design and characterization of biological material

5. Application of molecular simulations in environmental sciences

6. Research and design of energetic material
7. Study on issues such as coal chemical industry and coal combustion

8. Study on drug delivery and molecular self-assembly

9. New computing method and simulation technology
10. Materials informatics

Material Science Session B: Application of Molecular Simulations in Materials Physics

1. Composition, structural design and physical property study of semiconductor material

2. Physical property study and design of nanometer material and device

3. Physical property study and design of new energy material

4. Dielectric property study and design of materials

5. Physical property study and design of metallic material

6. Study and design of new super-hard material

7. Study and design of new photoelectric material
8. New method and technology of computation and simulation of material

9. Structural characterization, analysis and prediction of crystalline material

10. Materials genome

Life Science
Session A: Drug Discovery and Cheminformatics
1. New drug discovery based on new target and international technical progress of drug molecular design
2. Drug-lead compound discovery and structure optimization
3. New theory, process, method of drug molecular design and synthesis and biological activity study
4. Molecular docking technology based on 3D-structural target
5. Small-molecule database and virtual screening technology
6. QSAR, ADMET characters and toxicological property prediction technology
7. Drug molecular design based on functional and structural genomes
8. Medicinal molecules design based on pharmacophore model and similarity identification technology of molecular library
9. Functional mechanism study of traditional Chinese medicine and natural products and the network pharmacology

10. Computation of steered molecular dynamics with free energy based on MM-PBSA

11. Drug design technology based on fragment

12. Construction of virtual compound library and druggability analysis

13. Screening and functional mechanism study of effective constitute in traditional Chinese medicine and multi-target drug

Life Science
Session B: Biological macromolecules and Bioinformatics
1. NGS data processing and NGS application
Microarray data analysis
3. Primer design, qPCR data analysis, MicroRNA study and RNA interference study
4. Annotation, feature analysis, sequence search and alignment of protein and nucleotide sequence
5. Mass spectrometric data analysis and management of proteomics
6. Analysis of biologic pathway and transcription factor
7. Date mining, automation, visual analysis and tooling integration of bioinformatics
8. Study on protein structure and function
9. The interaction of protein with nucleic acid, proteasome and polypeptide
10. Application of computation and simulation in protein design and structural stability study
11. Design approach and application of protein
12. Application of bioinformatics in proteomics and macro-proteomics

13. Design and interaction of biological drug (protein drug, antibody, nucleic acid, polypeptide, etc.)

14. Antibody engineering

15. Enzyme engineering


    II. Conference Organization   

1. Conference Organizers

Ÿ   Key Laboratory of Materials Modification by Laser, Ion and Electron Beams of Ministry of Education, Dalian University of Technology

Ÿ   Beijing NeoTrident Technology Co., Ltd.

Ÿ   Shanghai Institute of Materia Medica, CAS

Ÿ   Specialized Committee of Computer and Computational Chemistry, Chinese Chemical Society

2. Academic Committee of the Conference (in the order of Chinese Pinyin of members’ surnames)

Ÿ  Chairman: Academician Chen Kaixian

Ÿ   Vice Chairmen:

Prof. Shen Jingkang             Prof. Xu Xiaojie

Prof. Jiang Lianghua            Prof. Zhou Han

Ÿ   Advisers:

Academician Chen Jisheng    Academician Chen Nanxian          Academician Duan Xue

Prof. Guo Zongru                   Academician Huang Wei               Academician Li Zhengming

Academician Liu Baixin        Academician Shen Beifen              Academician Shen Yinchu

Academician Wang Chongyu Academician Wei Yuquan             Academician Wu Yundong

Academician Xu Ruren          Academician Zhang Lihe               Academician Zhang Xi

Academician Zhao Guoping   Academician Yu Jihong

Ÿ   Members of Standing Committee:

Prof. Cao Zexing             Prof. Chen Maosheng             Prof. Cui Tian

Prof. Dai Zhenyu             Prof. Du Guanhua                   Prof. Gao Qingzhi

Prof. Hou Tingjun            Prof. Jiang Qing                      Doc. Li Jian

Prof. Li Yixue                  Prof. Peng Shuming                Prof. Peng Lianmao

Prof. Tang Yalin              Prof. Tian Yongjun                  Prof. Yang Guangfu

Prof. Yang Jinlong           Prof. Yang Rui                        Prof. You Qidong

Prof. Zhang Hongxing   Research Fellow Zhu Weiliang  Feng Hua

Ÿ   Secretary: Xu Tao

Ÿ   Members and their working units of the Committee:


3. Organizing Committee of the Conference
Chairmen:    Prof. Xu Xiaojie                Prof. Shen Jingkang

                     Prof. Jiang Hualiang           Prof. Zhou Han
Vice Chairmen:    Prof. Zhu Weiliang    Prof. Zhao Jijun       Prof. Dai Zhenyu
Associate Prof. Su Yan
Prof. Li Xiaoxia   Zhao Jianjun    Feng Hua    Xu Tao    Dai Yadong 
Chen Si   Jiang Xue   Zhou Si


Prof. Bu Yuxiang

Shandong University

Prof. Cao Zexing

Xiamen University

Prof. Chen Gang

Jilin University

Academician Chen Jisheng

Beijing Institute of Medicinal Chemistry

Academician Chen Kaixian

Shanghai Institute of Materia Medica, CAS

Academician Chen Nanxian

Tsinghua University

Prof. Cheng Maosheng

Shenyang Pharmaceutical University

Prof. Cui Tian

Jilin University

Prof. Du Guanhua

Institute of Materia Medica, CAS

Academician Duan Xue

Beijing University of Chemical Technology

Mr. Feng Hua


Prof. Gao Qingzhi

Tianjin University

Prof. Guo Zongru

Institute of Materia Medica, CAS

Research Fellow He Tiening


Prof. Hou Tingjun

Zhejiang University

Prof. Hu Shejun

South China Normal University

Prof. Hu Yongzhou

Zhejiang University

Prof. Huang Jingfei

Kunming Institute of Zoology, CAS

Prof. Huang Min

Sun Yat-sen University

Prof. Huang Nan

Southwest Jiaotong University

Academician Huang Wei

Nanjing Tech University

Prof. Jiang Hualiang

Shanghai Institute of Materia Medica, CAS

Prof. Jiang Qing

Jilin University

Prof. Lai Luhua

Peking University

Prof. Li Xiaoxia

Institute of Process Engineering, CAS

Prof. Li Yixue

Shanghai Institutes for Biological Sciences, CAS

Prof. Li Yongwang

Institute of Coal Chemistry, CAS

Prof. Li Youyong

Soochow University

Prof. Li Zhengming

Nankai University

Prof. Liu Changjun

Tianjin University

Prof. Liu Baixin

Tsinghua University

Prof. Ma Jianpeng

Baylor College of Medicine, Rice University

Prof. Peng Lianmao

Peking University

Prof. Peng Shiqi

School of Chemical Biology and Pharmaceutical Sciences, Capital Medical University

Research Fellow Peng Shuming

China Academy Of Engineering Physics

Prof. Qian Yu

South China University of Technology

Academician Shen Beifen

Academy of Military Medical Sciences

Prof. Shen Bairong

Soochow University

Prof. Shen Jingkang

Shanghai Institute of Materia Medica, CAS

Academician Shen Yinchu

Zhejiang University of Technology

Research Fellow Shu Yuanjie

Xian Institute of Modern Chemistry

Prof. Shuai Zhigang

Tsinghua University

Prof. Su Weike

Zhejiang University of Technology

Prof. Sun Huai

Shanghai Jiaotong University

Prof. Tang Yalin

Institute of Chemistry, CAS

Prof. Tian Yongjun

Yanshan University

Academician Wang Chongyu

Tsinghua University

Prof. Wang Renxiao

Shanghai Institute of Organic Chemistry, CAS

Prof. Wang Wenchuan

Beijing University of Chemical Technology

Academician Wei Yuquan

Sichuan University

Prof. Wu Feng

Beijing Institute of Technology

Prof. Wu Yuzhang

Third Military Medical University

Academician Wu Yundong

The Hong Kong Polytechnic University

Academician Xu Ruren

Jilin University

Prof. Xu Xiaojie

Peking University

Prof. Yang Guangfu

Central China Normal University

Prof. Yang Jinlong

University of Science and Technology of China

Prof. Yang Rui

Institute of metal research, CAS

Prof. Yang Shengyong

Sichuan University

Prof. Yao Xiaojun

Lanzhou University

Prof. You Qidong

China Pharmaceutical University

Prof. Yuan Shiling

Shandong University

Prof. Zhang Hongxing

Jilin University

Academician Zhang Lihe

Peking University

Prof. Zhang Liangren

Peking University

Prof. Zhang Ruiqin

City University of Hong Kong

Academician Zhang Xi

Tsinghua University

Academician Zhao Guoping

Shanghai Institutes for Biological Sciences, CAS

Prof. Zhao Jingtai

Shanghai Institute of Ceramics

Prof. Zhong Chongli

Beijing University of Chemical Technology

Prof. Zhou Han

Sinopec Research Institute of Petroleum Processing

Prof. Zhou Yanchun

Aerospace Research Institute of Materials & Processing Technology, CASC

Research Fellow Zhu Weiliang

Shanghai Institute of Materia Medica, CAS

Prof. Kyoung Tai No     

Yonsei University

Prof. Mike Payne   

Cambridge University


     III. Conference Agenda and Call for Papers    


1. Conference Agenda




Sep. 24 (Saturday)



Sep. 25 (Sunday)

Opening Ceremony and Conference Report


Sep. 26 (Monday)

Session report and Q&A


2. Conference Report Forms
Conference Languages: Chinese, English

Report Forms: The conference reports will take on two forms: invited lectures and contributions. The Academic Committee is responsible for determining the invited lectures of the conference and the sessions, oral presentations and assessment of contributions, while the Organizing Committee is responsible for specific execution.
1) Invited lectures of the conference: 30 minutes (including 5 minutes of Q&A)
2) Invited lectures of the sessions: 20 minutes (including 5 minutes of Q&A)
3) Oral presentations of the sessions: 15 minutes (including 5 minutes of Q&A)

3. Call for Papers
1) Requirements

Title: Bold, English

Author: name, organization, address, zip code, Email

Abstract: 100-300 words, English (Please indicate the name of software if it is used)

Full text: Chinese or English

Orientation: Please indicate the session subject

2) References
- The paper should be published after May 2014 or not published.
- If the paper has been published in a journal, please indicate the journal and its impact factor.
- Please delete the confidential data before you contribute the paper.
- Body type: 12 Times New Roman, 1.5 spacing, Word format, page margins: top and bottom
2.7 cm, left and right 3.17 cm.
- Please add your contact information so that the editor can contact with you.
- Please submit the contribution as Email attachment to:
- Deadline: Sep. 10, 2016
- The proceedings will be used only for internal academic exchange among those who attend the conference and will not be printed or released for commercial purposes.
- The Organizing Committee will issue “Acceptance Form of Paper Abstract” before
Sep. 10, 2016 once the paper is accepted.

4. Wall Newspaper
During the conference, exchanges about some conference papers will be conducted in the form of wall newspaper. Abstract of the wall newspaper should be emailed to lunwen@neotrident.com before Sep. 10, 2016, and the Academic Committee will notify you via Email once it approves the abstract. The wall newspaper should be posted and managed at the specified site for free exchange during the conference.
Wall paper dimensions: height 1.2m, width 0.9m
Site: to be determined
Post time: 14:00-18:00, Sep. 24
Exchange time: Sep. 24 - Sep. 25, free exchange
Removal time: 18:00, Sep. 26

    Ⅳ. Conference Fee    

1.  Registration Fee (including conference brochures, meals and souvenirs; the fees for accommodation and transportation should be paid by the participant)

Registration Type

Registration Fee

Special Discounts and Conditions
1) Sign in and pay the registration fee
before Sep. 1
2) Three or more participants from the same organization

Representatives of teachers and enterprises

RMB 2,000 / person

RMB 1,600 / person

Student representatives (Student ID is required for registration)

RMB 1,400 / person

RMB 1,000 / person

Representatives of foreign guests

USD 350 / person

USD 300 / person

  Note: Only one of the special discounts above can be used.


2. Charging:

1) Bank transfer (Be sure to mark the usage “ICMSI registration fee” and your name when remitting the money. Please email the bank remittance to the mailbox of Conference Affairs huiyi@neotrident.com after remitting.)

     Account Name: Shanghai Branch, Beijing NeoTrident Technology Co., Ltd.

     Bank name: Shanghai Chenhui Sub-branch, China Merchants Bank

     Account No.: 121919707510501

2) On-site collection:
3. Registration Process

Please fill in The Letter of Acceptance of Invitation and submit it to the Conference Affairs by email, fax or mailing before Sep. 15. The Conference Affairs will confirm with you by email after receiving your Letter.

    V. Contact   



Ms. Shi:  021-51821768 ext. 213;

Ms. Chen: 021-51821768 ext. 233;

Dalian University of Technology

Zhao Jijun: 0411-84708748

Su Yan:   13940951562


  Email for registration: huiyi@neotrident.com

  Email for paper contribution: lunwen@neotrident.com

  Conference Website: http://icmsi.neotrident.com (Online registration system to be opened after July)


Details about the Conference will be noticed on the second notification published in mid-to-late July, 2016. Please stay tuned!





Key Laboratory of Materials Modification by Laser, Ion and Electron Beams of Ministry of Education, Dalian University of Technology

Shanghai Institute of Materia Medica, CAS

Beijing NeoTrident Technology Co., Ltd.

Specialized Committee of Computer and Computational Chemistry, Chinese Chemical Society

June 20, 2016






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传真: 021-51821758    Email:huiyi@neotrident.com