4 citations · 4 across the 1 of their papers we have counts for
3 papers
Detecting Thermodynamic Phase Transition via Explainable Machine Learning of Photoemission Spectroscopy
Xu Chen, Yuanjie Sun, Eugen Hruska +5
Identifying thermodynamic signatures of electronic phases, such as superconductivity, is challenging in low-dimensional materials due to strong fluctuations and low probing volume.…
Extensible and Scalable Adaptive Sampling on Supercomputers
Eugen Hruska, Vivekanandan Balasubramanian, Hyungro Lee +2
The accurate sampling of protein dynamics is an ongoing challenge despite the utilization of High-Performance Computers (HPC) systems. Utilizing only "brute force" MD simulations r…
ExTASY: Scalable and Flexible Coupling of MD Simulations and Advanced Sampling Techniques
Vivekanandan Balasubramanian, Iain Bethune, Ardita Shkurti +5
For many macromolecular systems the accurate sampling of the relevant regions on the potential energy surface cannot be obtained by a single, long Molecular Dynamics (MD) trajector…