Scientific Discovery Through Advanced Computing: Partnerships in Basic Energy Sciences

Funding Agency:
Department of Energy

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.

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


  • Duke Internal: Interested applicants at Duke should contact Paul Noe ( as early as possible.
  • Required Pre-Application: Jan 19, 2021
  • Application Due Date: April 6, 2021

Agency Website

Areas of Interest

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 quantumbased 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.

Eligibility Requirements

All types of domestic applicants are eligible to apply, except Federally Funded Research and Development Center (FFRDC)8 Contractors, and nonprofit organizations described in section 501(c)(4) of the Internal Revenue Code of 1986 that engaged in lobbying activities after December 31, 1995.



Amount Description

Ceiling $2,000,000 per year

Floor $1,000,000 per year

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

Funding Type





Engineering and Physical Sciences

External Deadline

January 19, 2021