Brief Description:

Description:

The DOE SC program in Basic Energy Sciences is accepting new and renewal applications from multi-disciplinary teams in Computational Chemical Sciences.
Harvard University is limited to submitting two-proposals as the lead institution. There are no limits to the number of applications where Harvard appears as a partner/ non lead institution.
The Office of the Vice Provost for Research is facilitating an Expression of Interest (EOI) process for eligible applicants.

This opportunity looks to support basic research to develop validated, open-source codes for modeling and simulation of complex chemical processes and phenomena that will provide fundamental understanding and predictive controls of these processes through the full use of emerging and planned exascale computing capabilities.
Teams should bring together expertise in domain areas (e.g., electronic structure, chemical dynamics, statistical mechanics, etc.) and other areas important to advance computational tools such as data science, algorithm development and software architectures.

Priority will be given to efforts that address chemical transformations and energy transductions processes across multiple scales in complex environments and systems related to BES-supported basic research in scientific topics underpinning clean-energy technologies and transformative, low carbon manufacturing.

Application Information:

Applicants are asked to provide the following information: (this will appear again within the applicant's electronic dashboard)

Name and title of PI
Name(s), title(s), CV(s), and, if at Harvard, the school where the PI holds a primary appointment, or if outside of Harvard, the institution where the individual holds an appointment
A brief summary of the proposed project- objectives, description, including methods to be employed and the potential impact of the project
The summary will be typed into an electronic field within the application. Applicants may prepare the text elsewhere and then cut & paste it into the application

Eligibility Criteria:

Applications from small group (2-3 PIs) and integrated multidisciplinary teams, typically from multiple institutions, are sought for this opportunity

Applications from single investigators are not considered responsive to the objectives of the opportunity

Individuals are limited to being named as the Lead PI on no more than one (1) pre-application or application

Individuals are advised to limit their participation as a Co-PI (this is not a lead PI) to no more than two (2) pre-applications and applications

Applications that are limited to use of existing quantum-based methods in their traditional regimes of application, are focused on the design and development of computational workflows, and/or are based on the "mature use" of presently available scalable implementations of chemical simulation methods and codes are not responsive to the FOA

Additional Information, Related Websites, and Proxy Instructions:

This competition is enabled for Proxy applicants. Before beginning an application Proxies will be asked to locate their Principal Investigator in HUFP. If your PI is not registered in HUFP, please ask them to create their profile using their Harvard KEY. Proxies should never "Add User" in HUFP.

Additional information, including the full text of DE-FOA-0002608 is available here.

Applicants with questions should contact the Research Development team at the school where they hold a primary appointment. A list of contacts by school is available here.

Search Filters:

Institution

Faculty of Arts and Sciences
Harvard John A. Paulson School of Engineering and Applied Sciences
Harvard T. H. Chan School of Public Health
Harvard Medical School (Quad)
Harvard School of Dental Medicine (HSDM)

Type of Competition

Limited Submission

Begin Accepting Applications Date:

11/30/2021

Deadline Date (EST Time Zone):

12/07/2021 11:59 PM