DOE Scientific Discovery Through Advanced Computing: Partnerships in Basic Energy Sciences

Please see the full solicitation for complete information about the funding opportunity. Below is a summary assembled by the Research & Innovation Office (RIO).

Program Summary

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 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.

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:

(A) 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.

(B) Predictive Control of Reaction Pathways for chemical mechanisms in complex nonequilibrium 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.


CU Internal Deadline: 11:59pm MST December 27, 2020

Sponsor Pre-Application Deadline: 3:00pm MST January 19, 2021

Sponsor Application Deadline: 9:59pm MST April 6, 2021

Internal Application Requirements (all in PDF format)

  • Research Narrative (3 pages maximum): Please include the following: 1) Background/Introduction: Explanation of the importance and relevance of the proposed work as well as a review of the relevant literature. 2) Project Objectives: This section should provide a clear, concise statement of the specific objectives/aims of the proposed project. 3) Proposed Research and Methods: Identify the hypotheses to be tested (if any) and details of the methods to be used including the integration of experiments with theoretical and computational research efforts. 4) Management Plan and Timetable of Activities: This section should describe the management structure, how effective collaborations among the participants will be fostered, how integration of computational and science efforts will be attained, and the timeline for all major activities including performance metrics and deliverables. The management structure must be sufficiently flexible to adapt quickly to changing technical challenges and scientific needs. It must clearly indicate the roles and responsibilities of the senior/key members and indicate how activities will be coordinated and communicated among team members.
  • PI Curriculum Vitae
  • Budget Overview (1 page maximum): A basic budget outlining project costs is sufficient; detailed OCG budgets are not required.

To access the online application, visit:


There are no special eligibility requirements.

Limited Submission Guidelines

Applicant institutions are limited to no more than 2 pre-applications and applications as the lead institution.

Award Information

Ceiling $2,000,000 per year

Floor $1,000,000 per year

DOE anticipates making awards with a project period of 4 years.