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Consortium for Computational Physics and Chemistry

A research collaboration of national laboratories for the U.S. DOE Bioenergy Technologies Office

New: Bioenergy Technologies Office High Performance Computing on Summit available for national laboratory users (see user call).

DOE has announced three awards for the CCPC DFO. See below for the announcement.

Direct Funding Opportunity (DFO)
for Computational Science to Enable Bioenergy

Consortium for Computational Physics and Chemistry (CCPC)
of the Bioenergy Technologies Office (BETO) of the U.S. Department of Energy

Release Date: July 17, 2020

Department of Energy Selects Three Projects to Increase Industry Access to High-Performance Computing Capabilities

Today, the U.S. Department of Energy (DOE) selected three projects to receive approximately $1 million in funding to leverage the unique computational capabilities at DOE’s National Laboratories. The projects will address technical challenges in bioenergy feedstock handling and logistics, as well as catalyst design and development.

The projects will partner with the Consortium for Computational Physics and Chemistry (CCPC), which is comprised of National Laboratory researchers who use computer simulations for bioenergy research and development. By incorporating high-performance computing, researchers can help reduce the costs and time needed for conversion process scale-up and reactor design.

DOE awarded Directed Funding Opportunity (DFO) awards to the following three projects:

  • Catalyxx Inc., of Chesterfield, Missouri, will work with Oak Ridge National Laboratory to determine optimal reaction conditions for scaling up their process of converting ethanol to high alcohols.
  • Forest Concepts, LLC, of Auburn, Washington, will work with Idaho National Laboratory and the National Renewable Energy Laboratory to model the behaviors of different biomass types undergoing Forest Concepts’ preprocessing technologies as well as the downstream conversion effects.
  • Pyran, LLC, of Madison, Wisconsin, will work with Oak Ridge National Laboratory to produce predictive models of Pyran’s process to produce 1,5-pentanediol to assist with scale up efforts.

A DFO funds competitively selected Cooperative Research and Development Agreements between laboratory consortia and partners from industry and academia. Each of the CCPC DFO awardees will receive between $300,000 and $500,000 of National Laboratory assistance. Additionally, each of the awardees has committed to a 20% cost-share contribution.

The CCPC integrates experimental and computational capabilities to address real-world complexities and enable the advancement of renewable energy technologies. Sponsored by the DOE’s Bioenergy Technologies Office, CCPC partners include Argonne National Laboratory, Idaho National Laboratory, the National Renewable Energy Laboratory, the National Energy Technology Laboratory, Oak Ridge National Laboratory, and Pacific Northwest National Laboratory. CCPC is also a part of the Chemical Catalysis for Bioenergy Consortium and provides assistance to the Feedstocks Conversion Interface Consortium.

Learn more about the CCPC capabilities.



The CCPC is an enabling project in the ChemCatBio consortium


ChemCatBio is part of DOE’s Energy Materials Network


Feedstock-Conversion Interface Consortium


Bioprocessing Separations Consortium

U.S. DOE Bioenergy Technologies Office

Billion Ton Report
2016 Billion-Ton Report: Advancing Domestic Resources for a Thriving Bioeconomy

NREL Thermal and Catalytic Process Development Unit
Home to thermochemical reactors and pilot plants that CCPC models

PNNL Bioproducts, Sciences, and Engineering Laboratory
Home to upgrading reactors and pilot plants that CCPC models

Open source code and tools

Computational models and functions developed by consortium members.

Surface Phase Explorer
Create interactive and downloadable surface phase diagrams from ab initio data.