Conference Introduction
The First Complex Interface Spectroscopy Intelligent Computing Workshop will be held on January 13-15, 2025, at the Xiang'an campus of Xiamen University!
Complex interfaces play a central role in material and energy exchange in numerous chemical reactions. Studying their microscopic structures is of great significance for improving conversion efficiency and understanding reaction mechanisms. In practice, we often employ various experimental spectroscopic techniques, such as vibrational spectroscopy, nuclear magnetic resonance, X-rays, and advanced technologies like electron microscopy. However, the interpretation of spectroscopic signals often faces challenges and requires theoretical tools for support.
Computational spectroscopy is an interdisciplinary field that integrates theoretical calculations with experimental spectroscopy, utilizing theoretical methods such as quantum mechanics and molecular dynamics to compute and simulate the spectral properties of materials. Spectra serve as a bridge between microscopic structures and macroscopic properties, featuring both theoretical computability and experimental measurability, and are closely related to the structural characteristics of materials. This makes them well-suited as a theoretical foundation for material sciences in the intelligent era. By leveraging advanced computational methods and artificial intelligence modeling techniques, we aim to achieve accurate, intelligent, multimodal spectral predictions for complex interfacial systems—from structure to spectrum—and rapidly elucidate the "spectrum-structure-property" relationships.
We have invited renowned experts from around the world to deliver lectures on computational and simulation methods for common spectroscopic techniques. The course covers a wide range of topics, including vibrational spectroscopy of complex interfaces (infrared, Raman, sum-frequency generation spectroscopy), solid-state NMR, X-ray spectroscopy (including X-ray absorption and X-ray scattering), atomic force microscopy, and data-driven approaches to spectral analysis. By tightly integrating computational spectroscopy with experimental measurements, the workshop will demonstrate the powerful capabilities of these methods in uncovering structure-property relationships in complex interfacial systems. Each afternoon will include hands-on practical sessions to help participants deeply understand the lecture content and domain knowledge, thereby supporting cutting-edge research.
Dates and Address
Dates：January 13–15, 2025
Address：Xiang'an Campus, Xiamen University, Xiamen, China
Online link：https://www.bilibili.com/opus/1017024465917181973
Topics
Registration
- Students and faculty members who are interested are encouraged to scan the QR code below to register before December 15, 2024.
- The workshop plans to admit 50 on-site participants, while online participation will be available via live streaming on Bilibili.
- There is no registration fee for this workshop. Meals during the event will be provided by the organizing committee, but attendees are responsible for their own travel and accommodation expenses.
Contact
Email：ai4ec@xmu.edu.cn
