To foster the convergence of theoretical computation, molecular simulation, and artificial intelligence, with the goal of catalyzing the intelligent transformation of chemical thermodynamics, process engineering, and advanced materials research. The 2nd International Conference on Molecular Simulation and Intelligent Chemical Engineering will be held in Nanning, Guangxi, from October 30 to November 1, 2026. The conference aims to provide a high-level academic exchange platform for experts and scholars worldwide in this field, facilitating in-depth discussions on cutting-edge developments and sharing the latest research achievements and industrial practical experience.
Ⅰ About the Conference
This conference is jointly organized by the CIESC Big Data for Chemical Process towards Intelligent Design Committee and the Editorial Office of the Molecular Simulation, and hosted by the School of Chemistry and Chemical Engineering at Guangxi University and the Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology. The conference themes include:
Intelligent Design of Novel Materials in Chemical Engineering
AI+ Chemical Engineering
Advances in Theoretical Computation and Molecular Simulation
Development and Application of Chemical Thermodynamic Models
Cutting-edge Research
International Exchange
Industry-Academia Collaboration
Ⅱ Conference Leadership
Conference Chairs
Prof. Xiaohua Lu received his Ph.D. from Nanjing Institute of Chemical Technology in 1988. He is a professor and PhD supervisor at the College of Chemical Engineering, Nanjing Tech University, and an adjunct professor of North Carolina State University and Luleå University of Technology.
He has published approximately 400 peer-reviewed research papers in international journals, has edited three books, including the leading monograph Molecular Thermodynamics of Complex Systems, and has received 37 patents. He has been a leader in the development of interfacial thermodynamics and interfacial-transfer theories based on molecular interactions for systems with complex solid-surface and complex fluids at the mesoscale. A Special Issue In Honor of Xiaohua Lu of J. Chem. Eng. Data was published in 2024 to recognize the quality and importance of Prof. Lu's scientific achievements. He organized and ran the International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD) 2010 as the chairman of the International Organizing Committee (IOC). He has obtained the award from the National Science Fund for Distinguished Young Scholars, and prizes including the Ministry of Education in Natural Science Award and National Award for Technical Innovation of China.
Prof. Nick Quirke is Professor Emeritus of Chemical Physics at Imperial College, London. His interests include theoretical research in the general area of nanomaterials with particular interest in their interaction with biological interfaces and with polymeric insulators. This fundamental research finds application in toxicology and in power engineering. He is a Fellow of the Royal Society of Chemistry, Editor-in-Chief of the international journal Molecular Simulation. He received the Royal Society of Chemistry Medal for Thermodynamics and was Royal Society / Kan Tong Po visiting Professor at the University of Hong Kong. He was awarded the 2006 NSTI Fellow Award for Outstanding Contributions in Advancing Nanotechnology and in 2013 a Yangtze river professorship at Xi'an Jiaotong University and was appointed adjunct professor at BUCT. His career has included leadership positions in both academia and industry. He was Principal Research Associate at BP. From 2006 to 2011 he was Vice President and Principal of Engineering and Science, University College Dublin.
Conference Chairs
Prof. Xiaohua Lu received his Ph.D. from Nanjing Institute of Chemical Technology in 1988. He is a professor and PhD supervisor at the College of Chemical Engineering, Nanjing Tech University, and an adjunct professor of North Carolina State University and Luleå University of Technology.
He has published approximately 400 peer-reviewed research papers in international journals, has edited three books, including the leading monograph Molecular Thermodynamics of Complex Systems, and has received 37 patents. He has been a leader in the development of interfacial thermodynamics and interfacial-transfer theories based on molecular interactions for systems with complex solid-surface and complex fluids at the mesoscale. A Special Issue In Honor of Xiaohua Lu of J. Chem. Eng. Data was published in 2024 to recognize the quality and importance of Prof. Lu's scientific achievements. He organized and ran the International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD) 2010 as the chairman of the International Organizing Committee (IOC). He has obtained the award from the National Science Fund for Distinguished Young Scholars, and prizes including the Ministry of Education in Natural Science Award and National Award for Technical Innovation of China.
Prof. Nick Quirke is Professor Emeritus of Chemical Physics at Imperial College, London. His interests include theoretical research in the general area of nanomaterials with particular interest in their interaction with biological interfaces and with polymeric insulators. This fundamental research finds application in toxicology and in power engineering. He is a Fellow of the Royal Society of Chemistry, Editor-in-Chief of the international journal Molecular Simulation. He received the Royal Society of Chemistry Medal for Thermodynamics and was Royal Society / Kan Tong Po visiting Professor at the University of Hong Kong. He was awarded the 2006 NSTI Fellow Award for Outstanding Contributions in Advancing Nanotechnology and in 2013 a Yangtze river professorship at Xi'an Jiaotong University and was appointed adjunct professor at BUCT. His career has included leadership positions in both academia and industry. He was Principal Research Associate at BP. From 2006 to 2011 he was Vice President and Principal of Engineering and Science, University College Dublin.
Organizing Committee Chairs
Prof. Shuangliang Zhao
Prof. Yuanhui Ji
Prof. Liwen Mu
Ⅲ Conference Agenda
| Time | Event | Venue |
|---|---|---|
| October 30, 2026 | ||
| 12:00-20:00 | Registration & Check-in | Lobby, 1st Floor, Landmark Hotel |
| October 31, 2026 | ||
| 08:30-12:00 | Plenary Sessions | Junwu Building, Guangxi University |
| 14:30-17:30 | Parallel Session 1 | Junwu Building, Guangxi University |
| Parallel Session 2 | Junwu Building, Guangxi University | |
| November 1, 2026 | ||
| 9:00-12:00 | Parallel Session 3 | Junwu Building, Guangxi University |
| Parallel Session 4 | Junwu Building, Guangxi University | |
Ⅳ Venue Information
Junwu Building
Address:
Guangxi University, No. 100 University East Road, Xixiangtang District, Nanning, Guangxi.
Main venue for plenary & parallel sessions.
Landmark Hotel
Address: No. 118, East University Road, Xixiangtang District, Nanning, Guangxi, China.
Contact phone: 0771-2336666.
All rooms feature free Wi-Fi, air conditioning, TV, and 24-hour hot water. Hotel facilities include a buffet restaurant (breakfast 7:00–10:00), laundry room, and free parking. Luggage storage and wake-up calls available at front desk.
Landmark Hotel is approximately 1 kilometer from Junwu Building, about a 15-minute walk or a 5-minute drive.
Ⅴ Organizer
Guangxi University (GXU) is located in Nanning, the capital of Guangxi, which is known as the "Green City of China". It is the only national "211 Project" university in Guangxi, as well as being a "double first-class" construction university and the co-construction university of the Ministry of Education and the People's Government of Guangxi Zhuang Autonomous Region. To pursue a new pattern of international collaboration, GXU has signed academic cooperation and exchange agreements with 290 universities and academic institutions in 49 countries and regions around the world, as well as forming a close bond with 97 universities and academic institutions in 11 ASEAN countries.
The School of Chemistry and Chemical Engineering at Guangxi University is authorized to offer doctoral degrees at the first-level discipline level in Chemistry and Chemical Engineering and Technology, as well as professional doctoral degrees in Materials and Chemical Engineering. It also hosts postdoctoral research stations in Chemistry and in Chemical Engineering and Technology. The School of Chemistry and Chemical Engineering has thus established a comprehensive "Bachelor's–Master's–Doctoral–Postdoctoral" talent cultivation system. In recent years, the school has strategically built interdisciplinary platforms that leverage its distinctive strengths, yielding a series of high-impact research outcomes. The chemistry discipline of the school has entered the top 1% in the global ESI rankings, while Materials Science has entered the top 1‰. In 2026, the materials and chemical engineering discipline was designated as a Guangxi "Peak Discipline" for prioritized development.
Ⅵ Registration Information
Contact Information:
Zengxi Wei: zengxiwei@gxu.edu.cn
Qian Sun: sunqian@gxu.edu.cn
Zequan Li: zequan@gxu.edu.cn
International experts (excluding those from the Chinese Mainland) are exempt from the registration fee, and hotel accommodation will be supplied by the organizers.
As the host institution, the School of Chemistry and Chemical Engineering will provide a high-level academic exchange platform and high-quality organizational services for the conference.
