no code implementations • 11 May 2024 • Bowen Deng, Yunyeong Choi, Peichen Zhong, Janosh Riebesell, Shashwat Anand, Zhuohan Li, KyuJung Jun, Kristin A. Persson, Gerbrand Ceder
We argue for the importance of a comprehensive materials dataset with improved PES sampling for next-generation foundational MLIPs.
1 code implementation • 28 Feb 2023 • Bowen Deng, Peichen Zhong, KyuJung Jun, Janosh Riebesell, Kevin Han, Christopher J. Bartel, Gerbrand Ceder
The simulation of large-scale systems with complex electron interactions remains one of the greatest challenges for the atomistic modeling of materials.