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2022 International Conference on Intelligent Material Design (ICIMD 2022)



The first International Conference on Intelligent Materials Design will be held online on June 24-26, 2022. Smart materials are functional materials with one or more excellent properties that can be manipulated, such as excellent electronic transport properties, heat conduction properties, ferromagnetic materials and superconductivity, topological insulation and other novel physical properties of the material. Smart materials are particularly important in meeting national needs and people's lives. With the progress of computer technology and algorithm, computer aided material design has become an important means of new material research and development. The purpose of this conference is to invite international counterparts engaged in intelligent material design to discuss the work of intelligent material design. to share the current achievements and problems in the design of smart materials, to achieve in-depth interdisciplinary discussions and promote the development of the field.

The theme of ICIMD 2022 is AI Deep Learning Predicts Novel Materials and Properties, but not limited to

(1) Structural search, reconstruction and assembly of novel materials;

(2) Electronic and thermal properties of novel materials as well as the property regulation;

(3) Development of novel thermoelectric materials;

(4) Development of topological insulators, superconductors, ferromagneticand ferroelectricmaterials;

(5) Other material design and theoretical models.

I. Sponsors

Sponsored by Dalian University of Technology, Agency for Science, Technology and Research (A*STAR, Singapore)

Organized by DUT-BSU Joint Institute of Dalian University of Technology and Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology) Ministry of Education

Co-sponsored by The Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR) in Singapore

Co-organized by School of Physics, Dalian University of Technology

II. Purpose of the Conference

Academic exchange, innovation and development

III. Format of the Conference

Online Conference Platform:ZOOM


Format of Participation: Plenary Talk,Keynote and Invited Talk

IV. Conference Dates and Important Time Nodes

Conference Date: June 24th- 26th, 2022

Deadline for Registration: June 10th, 2022

Deadline for Submission of Abstracts: June 15th, 2022

V. Members of the Conference

Chairmen of the Conference:

Junfeng Gao, Dalian University of Technology, China

Gang Zhang,The Institute of High Performance Computing, Singapore

Ruiqin Zhang, City University of Hongkong, China

Members of the Academic Committee:

Jijun Zhao, Dalian University of Technology, China

Jinlan Wang, Southeast University, China

Feng Ding, IBS Center for Multidimensional Carbon Materials, South Korea

Yuantong Gu, Queensland University of Technology, Australia

Yong Xu, Tsinghua University, China

Ady Suwardi, Institute of Materials Research and Engineering, A*STAR, Singapore

Bin Wen, Yanshan University, China

Kedar Hippalgaonkar, Institute of Materials Research and Engineering, A*STAR, Singapore

Nuo Yang, Huazhong University of Science and Technology, China

Yuan Cheng,Monash University, Australia

Lijun Zhang, Jilin University, China

Zhimei Sun, Beihang University, China

Jinwu Jiang, Shanghai University, China

VI. Conference Agenda

8:30-17:00, June 24th: Plenary + Keynote lectures

8:30-17:00, June 25th: Parallel Sessions

8:30-17:00, June 26th: Parallel Sessions

VII. List of Speakers


1. Theories for Experimental Design


2. 《基于机器学习算法的新型功能材料靶向设计》

—— Jinlan Wang (Southeast University, China)

3. Deep-learning ab initio calculation method: DeepH

—— Yong Xu (Tsinghua University, China)

4. Unraveling the Interdependencies of Thermoelectric Transport Parameters

—— Ady Suwardi (Institute of Materials Research and Engineering, A*STAR, Singapore)

5. Intelligent Design on Mechanical Properties of Bioinspired Materials and Their Applications

—— Yuan Cheng (Monash University, Australia)

6. Accelerating Materials Discovery and Property Design by ALKEMIE

—— Zhimei Sun (Beihang University, China)

7. Computational Design of Semiconductor Materials for Optoelectronic Applications

—— Lijun Zhang (Jilin University, China)

8. Theoretical Design and Control of Topological Quantum Materials via Orbital Engineering

—— Miao Zhou (Beihang University, China)

9. Fundamental Study on Phonon Engineering and A.I.

—— Nuo Yang (Huazhong University of Science and Technology, China)

10. Energy Storage Material Design Based on Electrochemical Activity Regulation

—— Jianjun Liu (Shanghai Institute of Ceramics,Chinese Academy of Sciences, China)


1. From Computational Predicted to Experimental Production:

Atomic Manufacturing New Structures for Versatile Applications

—— Junfeng Gao (Dalian University of Technology, China)

2. Non-negligible Effects of Electrochemical Environment Factors in DFT Calculations

—— Jia Li (Tsinghua University)

3. Phononic Heat Conduction in Nanomaterials

—— Jie Chen (Tongji University, China)

4. Chiral Phonons and Heat Conduction in Microsystems

—— Lifa Zhang (Nanjing Normal University, China)

5. Thermal-Mechanical Properties of Polymer Nanocomposites

—— Haifei Zhan (Zhejiang University, China)

6.  Artificial Intelligence with Material Performance Analysis

—— Tian Wang (Beihang University, China)

7. Machine Learning for Accelerated Prediction of Thermoelectric Transport Coefficients

—— Huijun Liu (Wuhan University, China)

8. Modulation of the Electronic Properties of Two-Dimensional Materials Via Strain and Chemical Functionalization

—— Yongqing Cai (University of Macau, China)

9. Theoretical Study on Carbon-Boron System with Magnetic Properties

—— Xiaobao Yang (South China University of Technology)

10. Structural Design and Property Regulation of Novel Two-Dimensional Functional Materials

—— Liming Yang (Huazhong University of Science and Technology, China)

VIII. Conference Secretary

Yi Zhang,Tel: 13941147609,E-mail:

Yuening Xue,Tel: 13050557035,E-mail:

Hongsheng Liu,Tel: 15140626153,E-mail:

We sincerely look forward to your participation. To attend the conference, please fill in the registration form for ICIMD 2022 given in Annex 1 and send to before 15-6-2022, and named as “Conference Registration+University+Name”.

DUT-BSU Joint Institute Dalian University of Technology