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 Materials Science
Hours 100 Million Core-Hours
PI Giulia Galli, University of California, Davis

Vibrational Spectroscopy of Liquid Mixtures and Solid/Liquid Interfaces

Simulations were carried out with the Qbox code

Award INCITE
Domain Energy Technologies
Hours 50 Million Core-Hours
PI Paul F. Fischer, Argonne National Laboratory

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

computed on Intrepid with Nek5000

Award INCITE
Domain Physics
Hours 40 Million Core-Hours
PI Milad Fatenejad, University of Chicago

Transformative Simulation of Shock-Generated Magnetic Fields

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

Predictive Materials Modeling for Li-Air Battery Systems

electron density obtained from a density functional theory

Award INCITE
Domain Energy Technologies
Hours 70 Million Core-Hours
PI Michael Crowley, National Renewable Energy Laboratory

Thermodynamics of Binding Biomass to Cellulases for Renewable Fuel

Award INCITE
Domain Physics
Hours 35 Million Core-Hours
PI Andrey Beresnyak, Los Alamos National Laboratory

Spectral Slope of MHD Turbulence

Award INCITE
Domain Chemistry
Hours 140 Million Core-Hours
PI David Baker, University of Washington

Towards Breakthroughs in Protein Structure Calculation and Design

Award INCITE
Domain Energy Technologies
Hours 14 Million Core-Hours
PI Mihai Anitescu, Argonne National Laboratory

Optimization of Complex Energy System Under Uncertainty

Award INCITE
Domain Physics
Hours 80 Million Core-Hours
PI James Amundson, Fermilab

Accelerator Simulations for the Intensity Frontier of Particle Physics

Multiple-bunch simulation of the Fermilab Booster particle accelerator

Award INCITE
Domain Materials Science
Hours 95 Million Core-Hours
PI Dario Alfe, University College London

Non-covalent Bonding in Complex Molecular Systems with Quantum Monte Carlo

non-covalent bonding for a range of paradigm molecular materials

Award ALCC
Domain Materials Science
Hours 20 Million Core-Hours
PI Jeffrey Greeley, Argonne National Laboratory

Liquid-Solid Interfaces in Electrocatalysis from First Principles

Density Functional Theory calculations are used to understand the structure and dynamics of chemical processes at water/metal interfaces.

Award ALCC
Domain Materials Science
Hours 50 Million Core-Hours
PI Subramanian Sankaranarayanan, Argonne National Laboratory

Dynamics of Conformational Transition in Thermo-Sensitive Polymers and Hydrogels

Atomistic simulations elucidating the coil-to-globule conformational changes in thermosensitive polymers.

Award ALCC
Hours 20 Million Core-Hours
PI Kostas Orginos

Ab Initio Hyper-Nuclear Physics

A compilation of the nuclear energy levels determined in lattice QCD in a world where up down and strange quarks have all the same mass equal to the physical strange quark mass.

Award ALCC
Domain Engineering
Hours 30 Million Core-Hours
PI Aleksandr Obabko, Argonne National Laboratory

U.S.-Russia Collaboration on Verification and Validation in Thermal Hydraulics: Nek5000 and Conv3D Simulation of “SIBERIA” Experiment

Velocity magnitude from preliminary Nek5000 simulations of "SIBERIA" experiment.

Award ALCC
Domain Engineering
Hours 60 Million Core-Hours
PI Parviz Moin, Center for Turbulence Research Stanford University

Prediction of Multiscale, Multiphysics Turbulent Flow Phenomena Using Unstructured Large Eddy Simulation

Award ALCC
Domain Engineering
Hours 30 Million Core-Hours
PI Elia Merzari, Argonne National Laboratory

Petascale Thermal-Hydraulic Simulations in support of CESAR

Axial velocity distribution for 37-pin rod bundle.

Award ALCC
Domain Computer Science
Hours 3 Million Core-Hours
PI Terry Jones, Oak Ridge National Laboratory

HPC Colony: Adaptive System Software for Improved Resiliency and Performance

The projected boot time of a full system, as a function of total size, up to 2M nodes. Each curve represents a given base zone size. The arrows indicate the optimal setup in terms of management-zone and base-zone sizes.

Award ALCC
Domain Physics
Hours 4 Million Core-Hours
PI Katrin Heitmann, Argonne National Laboratory, High Energy Physics and Mathematics and Computer Science Divisions

Exploring the Nature of the Lightest Massive Particles in the Universe

Simulated dark matter distribution for different cosmological models (colors: velocities) demonstrating the power of large-scale structure measurements to probe new physics.

Award ALCC
Domain Energy Technologies
Hours 30 million Core-Hours
PI Micheal Smith, Argonne National Laboratory

Validation Work for Heterogeneous Nuclear Reactor Calculations

Advanced Test Reactor Geometry and UNIC Flux Solution; fast flux.

Award INCITE
Domain Physics
Hours 70 Million Core-Hours
PI Don Lamb, The University of Chicago

How Do Standard Candles Illuminate Knowledge of the Universe?

Four snapshots during a simulation of the explosion phase of the deflagration-to-detonation (DDT) model of nuclear-powered (Type Ia) supernovae.