Projects

ALCF projects cover many scientific disciplines, ranging from biology and physics to materials science and energy technologies. Filter ongoing and past projects by allocation program, scientific domain, and year.

Award Mira ESP
Domain Physics
Hours 150 Million Core-Hours
PI Paul Mackenzie, Fermilab

LatticeQCD - Early Science

summary of Lattice QCD averages

Award Mira ESP
Domain Biological Sciences
Hours 80 Million Core-Hours
PI Benoit Roux, Argonne National Laboratory & University of Chicago

NAMD - The Engine for Large-Scale Classical MD Simulations of Biomolecular Systems Based on a Polarizable Force Field

NAMD

Award INCITE
Domain Physics
Hours 15 Million Core-Hours
PI David Dean, Oak Ridge National Laboratory

Computational Nuclear Structure

Excellent scaling is achieved by the production Automatic Dynamic Load Balancing (ADLB) library on the BG/P.

Award Mira ESP
Domain Chemistry
Hours 150 Million Core-Hours
PI Mark Gordon, Iowa State University

High Accuracy Predictions of the Bulk Properties of Water

High Accuracy Predictions of the Bulk Properties of Water

Award Mira ESP
Domain Physics
Hours 150 Million Core-Hours
PI Salman Habib, LANL

Cosmic Structure Probes of the Dark Universe

matter distribution in the universe

Award Mira ESP
Domain Chemistry
Hours 150 Million Core-Hours
PI Alexei Khokhlov, U. Chicago

High-Speed Combustion and Detonation (HSCD)

Credits: Alexei Khokhlov (U of C), Charles Bacon (ANL), Shashi Aithal (ANL), Joa

Award Mira ESP
Domain Earth Science
Hours 150 Million Core-Hours
PI Thomas Jordan, USC

Using Multi-scale Dynamic Rupture Models to Improve Ground Motion Estimates

earthquake simulation model

Award Mira ESP
Domain Physics
Hours 50 Million Core-Hours
PI William Tang, PPPL

Global Simulation of Plasma Microturbulence at the Petascale & Beyond

Global Simulation of Plasma Microturbulence at the Petascale & Beyond

Award Mira ESP
Domain Energy Technologies
Hours 60 Million Core-Hours
PI Robert Moser, University of Texas

Petascale Direct Numerical Simulations of Turbulent Channel Flow

Petascale Direct Numerical Simulations of Turbulent Channel Flow

Award Mira ESP
Domain Physics
Hours 110 Million Core-Hours
PI Steven C Pieper, ANL

Ab-initio Reaction Calculations for Carbon-12

Ab-initio Reaction Calculations for Carbon-12

Award INCITE
Domain Earth Science
Hours 30 Million Core-Hours
PI Warren Washington, Tom Bettge, National Center for Atmospheric Research

Climate-Science Computational End Station Development and Grand Challenge Team

Climate models help global warming

Award INCITE
Domain Biological Sciences
Hours 50 Million Core-Hours
PI David Baker, University of Washington

Towards Breakthroughs in Protein Structure Calculation and Design

Large protein ALG13

Award INCITE
Domain Materials Science
Hours 1 Million Core-Hours
PI Giulia Galli, University of California, Davis

Vibrational spectroscopy of liquid mixtures and solid/liquid interfaces

Vibrational spectroscopy of liquid mixtures and solid/liquid interfaces

Award INCITE
Domain Biological Sciences
PI Igor Tsigelny, University of California - San Diego

Simulation and modeling of membranes interactions with unstructured proteins and computational design of membrane channels for absorption of specified ions

One of the selected MD conformers of MccE492 microcin

Award INCITE
Domain Energy Technologies
Hours 25 Million Core-Hours
PI Jack Wells, Oak Ridge National Laboratory

Understanding the Ultimate Battery Chemistry: Rechargeable Lithium/Air

Award INCITE
Domain Materials Science
Hours 45 Million Core-Hours
PI Priya Vashishta, University of Southern California

Reactive MD Simulation of Shock-Induced Cavitation Damage

Billion atom reactive molecular dynamics simulation of nanobubble collapse in wa

Award INCITE
Domain Chemistry
Hours 8 Million Core-Hours
PI Theresa Windus, Iowa State University

Prediction of bulk properties using high accuracy ab initio methods interfaced with dynamical calculations

George Schoendorff, Iowa State University

Award INCITE
Domain Chemistry
Hours 8 Million Core-Hours
PI Thierry Poinsot, CERFACS

Large Eddy Simulation of Two-Phase Flow Combustion in Gas Turbines

Large Eddy Simulation of a Real, Full Combustion Chamber

Award INCITE
Domain Physics
Hours 67 Million Core-Hours
PI Paul Mackenzie, Fermi National Accelerator Laboratory

Lattice QCD

LatticeQCD

Award INCITE
Domain Engineering
Hours 40 Million Core-Hours
PI Robert Moser, University of Texas at Austin

Simulation of High Reynolds Number Turbulent Boundary Layers