Conveners
Plenary Session 4: AI and Data-Driven Approaches for Materials and Molecular Simulations
- Fei Peng (Clemson University)
Nonequilibrium phenomena in quantum materials represent an exciting research frontier, in which theoretical insights are critical for both understanding cutting-edge experiments and guiding the exploration and realization of transient quantum states. I will briefly review the main challenges for practical simulations of realistic condensed matter systems based on the propagation of many-body...
Large language models (LLMs) for biology such as protein language models (pLMs) trained on a large corpus of protein sequences have shown unprecedented scalability and broad generalizability in a wide range of predictive modeling tasks, but their power has not yet been harnessed for predicting protein–nucleic acid binding sites, critical for characterizing the interactions between proteins and...
