Nuclear Quantum Effect and Its Temperature Dependence in Liquid Water from Random Phase Approximation via Artificial Neural Network Publications The Journal of Physical Chemistry Letters
Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation Publications The Journal of Chemical Physics
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers Publications Interface Focus
Method Development of X-Ray Ptychography: Towards High-Resolution and High-Throughput Coherent Imaging Events 12/15/2021
Multi-GPU Programming—Scale-Up and Scale-Out Made Easy, Using the Intel® MPI Library Events 12/09/2021
