COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics Publications The Journal of Physical Chemistry A
Cryo-EM Structures of the Small-Conductance Ca2+-Activated KCa2.2 Channel Publications Nature Communications
SUMOylation and an ATS1 Variant Converge to Disrupt PIP2-Dependent Gating of Kir2.1 Publications Journal of General Physiology
Molecular Dynamics Insights into TAS1R2 Transmembrane Domain Activation Publications International Journal of Molecular Sciences
AIMS: An Adaptive Intelligent Multi-Objective Scheduler Powered by Digital Twins Publications 2025 IEEE High Performance Extreme Computing Conference (HPEC)
HARMONIC: Uncertainty-Aware Multi-objective Optimization for Energy-Efficient HPC Resource Management Publications IEEE Transactions on Parallel and Distributed Systems
Cost-Efficient Domain-Adaptive Pretraining of Language Models for Optoelectronics Applications Publications Journal of Chemical Information and Modeling
DABench-LLM: Standardized and In-Depth Benchmarking of Post-Moore Dataflow AI Accelerators for LLMs Publications 2025 IEEE International Symposium on Workload Characterization (IISWC)
Photochemistry and Thermal Chemistry in Polymeric Ceramic Precursors Publications The Journal of Physical Chemistry Letters
Photoinduced Phase Transition of Diamond: A Nonadiabatic Quantum Molecular Dynamics Study Publications The Journal of Physical Chemistry Letters