A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization Model Publications Journal of Chemical Theory and Computation
Combined quantum Monte Carlo – effective fragment molecular orbital method: fragmentation across covalent bonds Publications Physical Chemistry Chemistry Physics
Reduce Cross-Platform Programming Efforts and Achieve High-Performance Parallel Code with oneDPL Events 09/15/2021
Transitioning to a New Era in Compilation Technology: Intel oneAPI DPC++/C++ Compiler Events 08/11/2021
A Data-Driven and Probabilistic Approach for Data Integration, Calibration, and Analysis in Mechanistic Models of Cellular Processes Events 07/28/2021
