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 21 Million Core-Hours
PI Donald Lamb , The University of Chicago

Illuminating Scientists' Knowledge of the Universe with "Standard Candles"

Three visualizations of nuclear combustion in a supernovae.

Award INCITE
Domain Biological Sciences
Hours 1.2 Million Core-Hours
PI Igor Tsigelny, University of California—San Diego/SDSC

Modeling the Molecular Basis of Parkinson's Disease

Alpha-synuclein pentamer constructed with 4ns molecular dynamics (MD) conformers after equilibration on the membrane with MD.

Award INCITE
Domain Chemistry
Hours 4 Million Core-Hours
PI Kelly Anderson , Procter & Gamble

Enabling Breakthrough Innovation at P&G

A 3-D periodic mesoscale simulation of many small bubbles that exist during the early stages of foam formation.

Award INCITE
Domain Physics
Hours 19.6 Million Core-Hours
PI Bob Sugar, University of California, Santa Barbara

Deepening the Understanding of Interactions between Quarks and Gluons

A frame from an animation illustrating the typical four-dimensional structure of gluon-field configurations used in describing the vacuum properties of QCD.

Award INCITE
Domain Biological Sciences
Hours 1.5 Million Core-Hours
PI Benoit Roux , Argonne National Laboratory and The University of Chicago

Breaking New Ground in Membrane Protein Research

Atomic model for the simulation of the KvAP channel in a lipid membrane.

Award INCITE
Domain Chemistry
Hours 6 Million Core-Hours
PI Giulia Galli , University of California—Davis

Probing the Properties of Water

Snapshot of an ab-initio molecular dynamics simulation of water confined between a hydrogenated diamond slab.

Award INCITE
Domain Engineering
Hours 1.3 Million Core-Hours
PI Peter Bradley, Pratt & Whitney

Improving Aircraft Engine Combustor Simulations

Jet engine combustor design

Award INCITE
Domain Biological Sciences
Hours 846,720 Core-Hours
PI Jeff Fox, Gene Network Sciences

Preventing Cardiac Rhythm Disorders

Simulation of ventricular fibrillation, a dangerous cardiac rhythm disorder, in a 3-D model of the canine ventricular anatomy.

Award INCITE
Domain Mathematics
Hours 30 Million Core-Hours
PI Paul Fischer, Argonne National Laboratory

Making Safe, Clean Nuclear Energy Available Globally

Coolant-flow pressure distribution in a 217-pin wire-wrapped subassembly, computed on P=65536 processors of the ALCF's Blue Gene/P using NEK5000.
,
Turbulent flow of coolant into a mock-up of the upper plenum of an advanced recycling nuclear reactor.

Award INCITE
Domain Materials Science
Hours 40 Million Core-Hours
PI Peter Coveney, University College London

Large-Scale Condensed Matter and Fluid Dynamics Simulations in Three Diverse Areas: Identification of Unstable Periodic Orbits (UPOs) in the Navier-Stokes Equations

Part of a large comparison between 3-D time slices of a fluid in a weakly turbulent regime, with the goal of locating candidate-suitable space-time orbits for the 4-D relaxation procedure.

Award INCITE
Domain Materials Science
Hours 40 Million Core-Hours
PI Peter Coveney, University College London

Large-Scale Condensed Matter and Fluid Dynamics Simulations in Three Diverse Areas: Part II: Molecular Dynamics Study of Clay-Polymer Nanocomposites

Snapshot from a molecular dynamics simulation of a system containing 16 isolated clay sheets immersed in a polymer melt.
,
Snapshot from a molecular dynamics simulation of an isolated clay platelet (consisting of two sheets) immersed in water.

Award INCITE
Domain Materials Science
Hours 40 Million Core-Hours
PI Peter Coveney, University College London

Large-Scale Condensed Matter and Fluid Dynamics Simulations in Three Diverse Areas: Whole Brain Blood Flow Simulations

A snapshot of blood flow simulated and visualized within a digitally reconstructed patient-specific middle cerebral artery aneurysm.

Award Mira ESP
Domain Earth Science
Hours 150 Million Core-Hours
PI Venkatramani Balaji, Geophysical Fluid Dynamics Laboratory

Climate-Weather Modeling Studies Using a Prototype Global Cloud-System Resolving Model

Climate-Weather Modeling Studies Using a Prototype Global Cloud-System Resolving Model

Award INCITE
Domain Energy Technologies
Hours 75 Million Core-Hours
PI Paul Fischer, Argonne National Laboratory

Improving Light Water Reactor Fuel Reliability Via Flow-Induced Vibration Simulations

Award ALCC
Domain Energy Technologies
Hours 30 Million Core-Hours
PI Larry Curtiss, Argonne National Laboratory

First Principles Calculations of Interfaces in Electrical Energy Storage Systems

Award ALCC
Domain Earth Science
Hours 40 Million Core-Hours
PI Laura Zamboni, Argonne National Laboratory

Sensitivity and uncertainty of precipitation of a climate model

Award ALCC
Domain Chemistry
Hours 20 Million Core-Hours
PI Jeffrey Greeley

Electrocatalyst Durability from First Principles Calculations

Award ALCC
Domain Engineering
Hours 10 Million Core-Hours
PI Said Elghobashi, University of California, Irvine

The Interactions Between Vaporizing Liquid Droplets and a Turbulent Flow: Fully Resolved Direct Numerical Simulation

Award ALCC
Domain Materials Science
Hours 12 Million Core-Hours
PI James R. Chelikowsky, University of Texas at Austin

Toward Crystal Engineering from First Principles

crystal structures

Award ALCC
Domain Energy Technologies
Hours 38 Million Core-Hours
PI Micheal Smith, Argonne National Laboratory

Scalable, Explicit Geometry, Whole-Core Nuclear Reactor Simulations

Scalable, Explicit Geometry, Whole-Core Nuclear Reactor Simulations