This Project Grant award from the National Science Foundation's (NSF) Computer and Information Science and Engineering (CISE) program supports a collaborative research effort led by Princeton University to expand the capabilities of the open-source Chronus Quantum (ChronusQ) software platform. The $294,053 award will enable the development of novel computational methods to simulate quantum dynamics and chemical processes with unprecedented accuracy, with applications in sustainable energy, catalysis, quantum computing, and other crucial technologies. The project provides a mechanism for advanced interdisciplinary education and training in areas like theoretical, physical, and materials chemistry. The enhanced ChronusQ platform will seamlessly integrate time-dependent quantum mechanical theories, spectral analysis tools, and highly parallelized numerical libraries to enable computational studies of ultrafast time-resolved spectroscopies and chemical processes in the strongly nonadiabatic regime. This work aims to bridge the attosecond and subnanosecond time scales, advancing the theoretical description of quantum dynamics.
Mod # | Description | Reason For Modification | Federal Obligation (Click to sort descending) | Date (Click to sort ascending) |
|---|---|---|---|---|
| Not listed | $294.1k | 10/16/23 |