(CLOSED) DE-FOA-0002441 - Scientific Discovery Through Advanced Computing: Partnerships in Basic Energy Sciences

Sponsor Name: 
Department of Energy
Description of the Award: 

The DOE SC programs in Basic Energy Sciences (BES) and Advanced Scientific Computing Research (ASCR) announce their interest in receiving applications from interdisciplinary teams to establish Partnerships under the SC-wide Scientific Discovery through Advanced Computing (SciDAC) program in specific targeted topic areas that relate to the BES and ASCR missions.

Targeted topics are described in the Supplementary Information section below. Applications and Pre-Applications that do not address one or more of these specific topics may be declined without review.

This Announcement invites new research proposals for the SciDAC-5 Partnerships in BES that enable or accelerate scientific discovery employing DOE High-End/High-Performance Computing (HPC) facilities, e.g., see https://science.osti.gov/ascr/Facilities. For the purposes of this Announcement, the term “DOE HPC” has been expanded to include the high performance production computational systems at the National Energy Research Scientific Computing Center (NERSC), as well as those existing, or planned to be available by 2022, at the Argonne Leadership Computing Facility (ALCF), Oak Ridge Leadership Computing Facility (OLCF), or similar DOE computing facilities. ASCR expects that DOE HPC will include exascale machines now planned for these Facilities (Perlmutter, Aurora, Frontier) within the period covered by this Announcement, please consult the following websites for further information:

Topics for this solicitation are limited to those listed below. Applications and Pre-Applications in other research areas may be declined without review.
SciDAC will support interdisciplinary teams to establish partnerships between domain scientists – in the fields of materials science, condensed matter physics, chemical sciences, geosciences, and energy-related biosciences – and applied mathematicians and/or computer scientists to overcome barriers between these disciplines. The integrated teams will engage with the SciDAC Institutes and allow full use of DOE HPC computing capabilities. Two topical areas of interest will be targeted:

  1. Quantum Phenomena of many-particle systems driven far from equilibrium. Applications are sought that drive and manipulate quantum effects such as coherence, entanglement, and novel states of matter by going beyond the use of existing quantum-based methods in their traditional regimes.
  2. Predictive Control of Reaction Pathways for chemical mechanisms in complex non-equilibrium and field-driven environments important in synthesis of materials and chemicals, and deconstruction of macromolecular structures such as plastics for polymer upcycling.

Efforts aimed at extending currently attainable length/time scales or increasing complexity and that algorithmically match efficiency enhancements offered by next generation computers will receive priority.

Limit (Number of applicants permitted per institution): 
Sponsor LOI Deadline: 
Jan 19, 2020
Sponsor Final Deadline: 
Apr 06, 2021
OVPR Application or NOI Instructions: 

Interested applicants should upload the following documents in sequence in one PDF file (File name: Last name_DE-FOA-0002441_2020 no later than 4:00 p.m. on the internal submission deadline:

1. Cover Page (1 page, pdf):

  • Title of Pre-application
  • Lead Principal Investigator Name, Job Title
  • Lead Institution
  • Lead PI Phone Number, Lead PI Email Address
  • FOA Number: Include the FOA Number indicated on the cover of this FOA
  • Topic: A (Quantum Phenomena) or B (Predictive Control of Reaction Pathways)

2. Project Description (no more than two pages, pdf) identifying the project scope that addresses the key aspects and elements of the sponsor's solicitation, principal investigators, collaborators, and partner organizations.

3. Team Members (Lead PI, Task Leaders and Senior/Key Personnel) with institutional affiliations

3. 2-page CV's of PI and Task Leaders

Formatting Guidelines:

Font/size: Times New Roman (12 pt.)
Document margins: 1.0” (top, bottom, left and right)
Standard paper size (8 ½” x 11)
Questions concerning the limited submissions process may be submitted to limitedsubs@psu.edu.

To be considered as a Penn State institutional nominee, please submit a notice of intent by the date provided directly below.
This limited submission is in downselect: 
Penn State may only submit a specific number of proposals to this funding opportunity. The number of NOIs received require that an internal competition take place, thus, a downselect process has commenced. No Penn State researchers may apply to this opportunity outside of this downselect process. To apply for this limited submission, please use this link:
OVPR Downselect Deadline: 
Wednesday, January 6, 2021 - 4:00pm
Michael Janik (CoE), Zi-kui Liu (E&MS)