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 ALCC
Domain Materials Science
Hours 120 Million Core-Hours
PI Subramanian Sankaranarayanan, Argonne National Laboratory

Atomistic simulations of Nanoscale Oxides and Oxide Interfaces

Award INCITE
Domain Chemistry
Hours 70 Million Core-Hours
PI Giulia Galli, The University of Chicago

Vibrational and Optical Spectroscopy of Electrolyte/Solid Interfaces

Award INCITE
Domain Chemistry
Hours 86 Million Core-Hours
PI Thierry Poinsot, CERFACS

Upscaling Laws in Premixed Explosions

Isosurface of temperature showing the flame wrinkling and acceleration after its interaction with obstacles during the simulation on an explosion

Award INCITE
Domain Materials Science
Hours 40 Million Core-Hours
PI Janet Scheel, Occidental College

Turbulent Rayleigh-Bénard Convection at High Rayleigh and Low Prandtl Numbers

Contours of the temperature (left) and magnitude of velocity (right) for a simulation of RBC for a Rayleigh number of 1x10^7 and a Prandtl number of 0.021

Award INCITE
Domain Physics
Hours 120 Million Core-Hours
PI Rene Bellwied, University of Houston

Thermodynamics of Quark Flavors from Lattice QCD

Display of the emission spectrum of a single heavy ion collision recorded with the ALICE detector at the LHC at a collision energy of 2.76 TeV per nucleon

Award INCITE
Domain Physics
Hours 60 Million Core-Hours
PI Paul Fischer, Argonne National Laboratory

Thermal Hydraulic Modeling: Cross-Verification, Validation, and Co-Design

Velocity magnitude distribution in a flow through the 25-pin swirl-vane spacer grid of Matis benchmark

Award INCITE
Domain Biological Sciences
Hours 55 Million Core-Hours
PI Benoît Roux, The University of Chicago

Studies of Large Conformational Changes in Biomolecular Machines

The Src-family of kinases are important enzymes for cellular signaling that can transfer a phosphoryl group from ATP to a target protein

Award INCITE
Domain Chemistry
Hours 200 Million Core-Hours
PI Martin Berzins, University of Utah

Solving Petascale Public Health and Safety Problems Using Uintah

Pressure profile of a deflagration to detonation transition in an array of tightly packed PBX9501 cylinders confined by symmetric boundaries on all sides.

Award INCITE
Domain Materials Science
Hours 125 Million Core-Hours
PI James Kermode, King's College London

SiO2 Fracture: Chemomechanics with a Machine-Learning Hybrid QM/MM Scheme

Award INCITE
Domain Physics
Hours 200 Million Core-Hours
PI Steven Langer, Lawrence Livermore National Laboratory

Simulation of Laser-Plasma Interaction in National Ignition Facility Experiments

A volume visualization of the laser light that has been backscattered by Stimulated Raman Scattering

Award INCITE
Domain Computer Science
Hours 25 Million Core-Hours
PI Robert Latham, Argonne National Laboratory

Scalable System Software for Parallel Programming

Award INCITE
Domain Materials Science
Hours 40 Million Core-Hours
PI Subramanian Sankaranarayanan, Argonne National Laboratory

Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale

A gas phase oxidation leading to formation of hollow oxide iron nanoparticle.

Award INCITE
Domain Materials Science
Hours 100 Million Core-Hours
PI Jeongnim Kim, Oak Ridge National Laboratory

QMC Simulations Database for Predictive Modeling and Theory

Researchers at Argonne, Purdue, and Oak Ridge are studying the properties of catalytic nanoparticles on graphene supports using Quantum Monte Carlo methods.

Award INCITE
Domain Chemistry
Hours 100 Million Core-Hours
PI David Dixon, University of Alabama

Computational Actinide Chemistry: Reliable Predictions and New Concepts

Optimized structure

Award INCITE
Domain Engineering
Hours 100 Million Core-Hours
PI Lee Shunn, Cascade Technologies

Combustion Stability in Complex Engineering Flows

NOx prediction in a swirl-type DLN combustor

Award INCITE
Domain Earth Science
Hours 80 Million Core-Hours
PI David Trebotich, Lawrence Berkeley National Laboratory

Chombo-Crunch: Modeling Pore-Scale Reactive Transport in Carbon Sequestration

Transient pH on calcite grains in capillary tube experiment. 1 billion grid points computed on 48K cores. 1 micron resolution.

Award INCITE
Domain Earth Science
Hours 102.8 Million Core-Hours
PI Warren Washington, University Corporation for Atmospheric Research (UCAR)

CESM Century-Scale Climate Experiments with a High-Resolution Atmosphere

A portion of the 1/4 degree grid global grid is shown over the southeast part of the United States.

Award INCITE
Domain Biological Sciences
Hours 45 Million Core-Hours
PI George Karniadakis, Brown University

Multiscale Simulations of Human Pathologies

brain aneurysm

Award INCITE
Domain Materials Science
Hours 60 Million Core-Hours
PI Juan de Pablo, University of Chicago

Molecular Engineering through Free Energy Mapping

Award INCITE
Domain Materials Science
Hours 100 Million Core-Hours
PI Larry Curtiss, Argonne National Laboratory

Predictive Materials Modeling for Li-Air Battery Systems

The electron density obtained from a density functional theory (DFT) calculation of lithium oxide performed with the GPAW code