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 INCITE
Domain Physics
Hours 100 Million Core-Hours
PI Sean Couch, Michigan State University

Petascale Simulation of Magnetorotational Core-Collapse Supernovae

Magnetohydrodynamic turbulence powered by neutrino driven convection

Award INCITE
Domain Materials Science
Hours 50 Million Core-Hours
PI Maria Chan, Argonne National Laboratory

Combining High Accuracy Electronic Structure Methods to Study Surface Reactions

A model of the aMnO2 (001) surface (side view) with lithium intercalated in the structure and an oxygen molecule adsorbed on top. Purple = Mn, red = O, green = Li.

Award INCITE
Domain Materials Science
Hours 90 Million Core-Hours
PI David Ceperley, University of Illinois at Urbana-Champaign

QMC Simulations Database for Predictive Modeling and Theory

DMC spin densities for antiferromagnetic states AF1 (left) and AF3 (right)

Award INCITE
Domain Chemistry
Hours 280 Million Core-Hours
PI Martin Berzins, University of Utah

Evaluation of a 1000 MW Commercial Ultra Super-Critical Coal Boiler

Large eddy simulation prediction of instantaneous O2 mass fraction in a hypothetical commercial scale 1000 MW, Ultra Super-Critical (USC) coal boiler

Award INCITE
Domain Chemistry
Hours 120 Million Core-Hours
PI David Baker, University of Washington

Towards Breakthroughs in Protein Structure Calculation and Design

A metal-binding protein designed by the Baker laboratory.

Award INCITE
Domain Earth Science
Hours 150 Core-Hours
PI Jonathan Aurnou, University California, Los Angeles

Frontiers in Planetary and Stellar Magnetism Through High-Performance Computing

3D visualization of convective cells at the outer boundary of a solar convection simulation run, using Mira

Award Theta ESP
Domain Physics
PI Steven Pieper, Argonne National Laboratory

Quantum Monte Carlo Calculations in Nuclear Theory

Blue Gene/Q scaling

Award Theta ESP
Domain Physics
PI Paul Mackenzie, Fermilab

The Hadronic Contribution to the Anomalous Magnetic Moment of the Muon

Award Theta ESP
Domain Engineering
PI Kenneth Jansen, University of Colorado Boulder

Extreme Scale Unstructured Adaptive CFD: From Multiphase Flow to Aerodynamic Flow Control

Isosurface of instantaneous Q criterion colored by speed over a vertical tail

Award Theta ESP
Domain Chemistry
PI Mark Gordon, Iowa State University

Advanced Electronic Structure Methods for Heterogeneous Catalysis and Separation of Heavy Metals

Award Theta ESP
Domain Engineering
PI Christos Frouzakis, Swiss Federal Institute of Technology Zurich (ETHZ)

Flow, Mixing and Combustion of Transient Turbulent Gaseous Jets in Confined Cylindrical Geometries

Award Theta ESP
Domain Materials Science
PI Volker Blum, Duke University

Electronic Structure Based Discovery of Hybrid Photovoltaic Materials on Next-Generation HPC Platforms

Award Theta ESP
Domain Biological Sciences
PI Benoit Roux, Argonne National Laboratory/University of Chicago

Free Energy Landscapes of Membrane Transport Proteins

Award Theta ESP
Domain Chemistry
PI Alexei Khokhlov, University of Chicago

Direct Numerical Simulations of Flame Propagation in Hydrogen-Oxygen Mixtures in Closed Vessels

Weak ignition behind a reflected shock in 2H2+O2 mixture

Award Theta ESP
Domain Physics
PI Katrin Heitmann, Argonne National Laboratory

Next-Generation Cosmology Simulations with HACC: Challenges from Baryons

Simulated cluster strong lensing image based on a large halo extracted from the Outer Rim simulation

Award Theta ESP
Domain Materials Science
PI Giulia Galli (Co-PIs: Francois Gygi, University of California, Davis, and Marco Govoni, Argonne National Laboratory), Argonne National Laboratory/University of Chicago

First-Principles Simulations of Functional Materials for Energy Conversion

High-performance calculations of nanoparticles and aqueous systems for energy applications

Award Theta ESP
Domain Biological Sciences
PI Fabien Delalondre, Ecole Federale Polytechnique de Lausanne

Large-Scale Simulation of Brain Tissue: Blue Brain Project, EPFL

Digital reconstruction of pyramidal cells

Award Theta ESP
Domain Engineering
PI Juan J. Alonso, Stanford University

Scale-Resolving Simulations of Wind Turbines with SU2

Separated turbulent flow over a S809 airfoil

Award ALCC
Domain Materials Science
Hours 70 Million Core-Hours
PI Gerbrand Ceder, Massachusetts Institute of Technology,

Revealing the Reversible Electrodeposition Mechanism in Multivalent-ion Batteries

Award ALCC
Domain Engineering
Hours 6 Million Core-Hours
PI Gustavo Ledezma, General Electric

Large-Eddy Simulation of Turbine Internal Cooling Passages