Project Grant 2103717
- 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,...
- This five-year, $312,500 Project Grant from the National Science Foundation's Division of Chemistry and Mathematical and Physical Sciences program will support the expansion of open-source quantum dynamics and spectroscopy software. Specifically, Professor Li and team will enhance the Chronus Quantum platform to enable time-resolved spectroscopy capabilities for quantum chemistry calculations. This will include novel computational methods to simulate chemical processes exhibiting quantum...
- The Virginia Polytechnic Institute and State University (Virginia Tech) will receive $312,500 from the National Science Foundation Division of Chemistry under the Mathematical and Physical Sciences federal grant program (CFDA 47.049) to expand the capabilities of the open-source Chronus Quantum software platform. The project will develop new computational methods in Chronus Quantum to simulate chemical processes exhibiting quantum behavior, including time-resolved spectroscopy capabilities to...
- This Project Grant award from the National Science Foundation (NSF) Computer and Information Science and Engineering (CISE) program (CFDA 47.070) provides $300,000 to develop cyberinfrastructure products that integrate constrained nuclear-electronic orbital (CNEO) functionalities into widely used computational chemistry software packages. The project aims to implement CNEO-DFT and CNEO-MD methods as modular extensions in open-source software like PySCF, NWChem, and CP2K. These products will...
- The National Science Foundation (NSF) awarded a $1,149,999 Project Grant under the Computer and Information Science and Engineering (CFDA 47.070) Federal Grant Program to the University of Massachusetts (UMass) Amherst. This 3-year grant, effective July 1, 2024, will fund the development of an open-source ecosystem of modeling tools for quantum hardware. The project aims to democratize access to quantum technology by creating user-friendly tools that allow researchers to model quantum systems...
- This $500,000 Project Grant award from the National Science Foundation's (NSF) Computer and Information Science and Engineering (CISE) program supports the implementation of an intensive training program to enhance computational modeling skills for quantum dynamics in materials. Specifically, the project will offer four summer schools focused on the cyberinfrastructure for nonadiabatic quantum dynamics simulations and their integration with machine learning tools and excited-state electronic...
- This $248,756 Project Grant award from the National Science Foundation (NSF) Computer and Information Science and Engineering (CISE) program (CFDA 47.070) supports research to design secure quantum computing systems. The project focuses on studying security vulnerabilities and developing remediation techniques for both hardware-specific and agnostic side-channel attacks on existing noisy intermediate-scale quantum computers and upcoming fault-tolerant quantum computing architectures. The...
- This federal Project Grant award, provided by the National Science Foundation's Mathematical and Physical Sciences program (CFDA 47.049), aims to develop new quantum algorithms and schemes to extend the capabilities of quantum devices and apply them to challenging problems in heavy-element computational chemistry. The $105,767 award, granted on October 1, 2024, with a completion date of September 30, 2027, focuses on advancing quantum information science and engineering (QISE) workforce...
- This Project Grant award, with $450,000 in funding from the National Science Foundation's Mathematical and Physical Sciences program (CFDA 47.049), supports research to develop a new hybrid quantum computing approach that combines digital gate operations and analog evolution. The goal is to enable more complex quantum simulations to address open problems in condensed matter and high-energy physics. Specifically, the research will demonstrate programmable many-body Hamiltonians with...
- This federal Project Grant award of $499,723 from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) supports research to develop new protocols for preserving quantum properties and studying quantum phenomena in "open" quantum systems that interact with their environment. The project aims to enhance the capabilities for controlling large quantum systems, which has applications ranging from quantum information processing to quantum...
The National Science Foundation's Office of Advanced Cyberinfrastructure awarded $437,500 to the University of Washington under the Computer and Information Science and Engineering federal grant program (CFDA 47.070) to expand the capabilities of the open-source Chronus Quantum software platform. The project will develop new computational methods within Chronus Quantum to simulate chemical processes exhibiting quantum behaviors, enabling time-resolved spectroscopy to support quantum chemistry calculations. This will provide unprecedented capabilities to model coupled nuclear and electronic dynamics within time-dependent density functional theory and equation-of-motion coupled cluster frameworks. The collaborative research is expected to advance the theoretical description of quantum dynamics across time scales and develop spectroscopic technologies beyond the Born-Oppenheimer approximation. Project outcomes include modular, high-performance, and extensible additions to Chronus Quantum through August 2027 that are highly parallelized and open-sourced to simulate molecular dynamics in the strongly nonadiabatic regime.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $437.5k | 7/18/22 |