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
Reduce Cross-platform Programming Effort and Write Performant Parallel Code with oneDPL Events 12/17/2021
