Conference Program
August 26 (Monday)
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14:00-22:00 |
Registration(Venue: The Ramada Plaza Optics Valley Hotel Wuhan) |
August 27 (Tuesday)
Plenary Session (Venue: West Lake Hall, The Ramada Plaza Optics Valley Hotel) Chair: Nick Quirke |
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8:20-8:30 |
Opening Ceremony |
Guang FengHuazhong University of Science and Technology |
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8:30-9:15 |
Old and new puzzles of the electrical double layer in concentrated and diluted ionic systems |
Alexei A. KornyshevImperial College London |
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9:15-10:00 |
Thermal transport in heterogeneous nanoscale interfaces |
Fernando BresmeImperial College London |
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10:00-10:10 |
Editorial introduction of the journal: |
Hiromi UchidaPublisher of Taylor and Francis |
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10:10-10:35 |
Break and Group Photo |
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August 27 (Tuesday), Session 1
Session 1: Energy Storage (Venue: No. 1 South Lake Hall)Chair: Shengli Chen（陈胜利） |
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10:35-11:10 |
Design and fabrication of electrochemical energy storage materials driven by computation and AI |
Keynote |
Jianjun Liu（刘建军）Shanghai Institute of Ceramics,Chinese Academy of Sciences
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11:10-11:35 |
Artificial intelligence design of lithium battery electrolytes |
Invited |
Xiang Chen（陈翔）Tsinghua University
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11:35-11:55 |
Molecular force fields enhanced by artificial intelligence techniques |
Invited |
Kuang Yu（余旷）Tsinghua Shenzhen International Graduate School
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11:55-12:15 |
Molecular structure and diffusion transfer mechanism of ionic liquid-based electrical double layer |
Invited |
Yanlei Wang（王艳磊）Institute of Process Engineering, Chinese Academy of Sciences
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12:15-13:50 |
Lunch |
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Session 1: Energy Storage (Venue: No. 1 South Lake Hall)Chair: Jianjun Liu（刘建军） |
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14:00-14:35 |
Theoretical and computational studies on the transport behaviors of lithium ions in olivine phosphate materials |
Keynote |
Shengli Chen（陈胜利）Wuhan University
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14:35-15:10 |
Towards AI2 electrochemistry (AI2 = AI × ab initio) |
Keynote |
Jun Cheng（程俊）Xiamen University
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15:10-15:35 |
Molecular simulations of localized high-concentration electrolytes for lithium batteries |
Invited |
Qisheng Wu（吴其胜）Suzhou Laboratory
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15:35-15:55 |
The HER volcano based on the potential of zero charge and hydrogen adsorption energy |
Invited |
Guoping Gao（高国平）Xi'an Jiaotong University
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15:55-16:10 |
Break |
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Session 1: Energy Storage (Venue: No. 1 South Lake Hall)Chair: Rongzhen Liao（廖荣臻） |
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16:10-16:45 |
Non-hydrostatic pressure induced superconductivity in diamond and solid molecular hydrogen |
Keynote |
Quan Li（李全） Jilin University
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16:45-17:10 |
Modeling of electrochemical interface and interphase: Multiscale simulation and machine learning |
Invited |
Tao Cheng（程涛）Soochow University
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17:10-17:35 |
A mesoscale thermodynamics model for electrochemical process |
Invited |
Cheng Lian（练成）East China University of Science and Technology
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17:35-17:55 |
Impact of potential on the energy storage mechanism of MXenes |
Invited |
Zhu Liu（刘柱）Zhejiang University
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17:55-18:15 |
Topological shape matters the charging mechanism in nanoconfined pores: A molecular understanding |
Invited |
Kui Xu（徐葵）Nanjing Tech University
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18:30-20:30 |
Dinner |
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August 27 (Tuesday), Session 2
Session 2: Catalyst (Venue: No. 2 South Lake Hall)Chair: Limin Liu（刘利民） |
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10:35-11:10 |
Development of quantum chemical methods and their applications in research of energy and environmental materials |
Keynote |
Yan Zhao（赵焱）Sichuan University
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11:10-11:35 |
Statistical methods-based single-molecule electronics study |
Invited |
Wei Liu（刘伟）Changchun Institute of Applied Chemistry, Chinese Academy of Sciences
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11:35-11:55 |
Study on the electrocatalytic mechanism regulated by interfacial water |
Invited |
Shisheng Zheng（郑世胜）Xiamen University
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11:55-12:15 |
AI promotes the development of high-performance membrane separation materials |
Invited |
Yun Tian（田芸）Zhengzhou University
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12:15-13:50 |
Lunch |
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Session 2: Catalyst (Venue: No. 2 South Lake Hall)Chair: Liming Yang（杨利明） |
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14:00-14:35 |
Understanding electrocatalysis by simulations in realistic electrochemical environment |
Keynote |
Zhen Zhou（周震）Zhengzhou University
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14:35-15:10 |
Origin of the activity for the metal oxides |
Keynote |
Limin Liu（刘利民）Beihang University
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15:10-15:35 |
De novo inverse materials design by combining optimization algorithm and universal potential |
Invited |
Wanjian Yin（尹万健）Soochow University
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15:35-15:55 |
Constant-potential electrocatalytic reaction simulation framework |
Invited |
Xu Zhang（张旭）Zhengzhou University
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15:55-16:10 |
Break |
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Session 2: Catalyst (Venue: No. 2 South Lake Hall)Chair: Bin Shan（单斌） |
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16:10-16:45 |
Computation and data-driven design of electrochemical ammonia synthesis |
Keynote |
Jianping Xiao（肖建平）Dalian Institute of Chemical Physics, Chinese Academy of Sciences
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16:45-17:10 |
Theoretical study of supported gold catalysts based on machine learning interatomic potential |
Invited |
Jincheng Liu（刘锦程）Nankai University
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17:10-17:35 |
Nuclear quantum effects in grand canonical constant potential electrocatalysis |
Invited |
Shenzhen Xu（许审镇）Peking University
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17:35-18:00 |
Understanding the spin state of single atom catalyst in electrocatalysis |
Invited |
Cheng Zhan（湛诚）Nanjing University of Science and Technology（南京理工大学） |
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18:00-18:20 |
Atomistic simulation of electrical double layers on charged interface |
Invited |
Jiale Ma（马家乐）Songshan Lake Materials Laboratory
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18:30-20:30 |
Dinner |
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