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 Earth Science
Hours 2.35 Million Core-Hours
PI Mark Taylor, Sandia National Laboratories

Energy Exascale Earth System Model

Award INCITE
Domain Biological Sciences
Hours 5 Million Core-Hours
PI Allen Taflove, Northwestern University

Finite Difference Time Domain Simulations to Facilitate Early-Stage Human Cancer Detection

Alterations of the nanoscale structure of live HeLa cells after chemical fixation, as observed using partial wave spectroscopic (PWS) optical microscopy.  Chemical fixation appears to alter the cellular nanoscale structure in addition to terminating its macromolecular remodeling.  These changes could not be detected using traditional modes of optical microscopy, being far smaller than the diffraction limit of visible light.

Award INCITE
Domain Engineering
Hours 12.5 Million Core-Hours
PI Janet Scheel, Occidental College

Towards Ultimate Rayleigh-Benard Convection

Temperature very near the bottom plate for Rayleigh-Benard Convection flow in a cylindrical container for a Rayleigh number of 3*10^{10}, a Prandtl number of 0.7, and an aspect ratio of 1.0 (i.e., diameter = depth). Dark red corresponds to higher temperature and white to lower temperatures. The image shows that the boundary layer is already becoming intermittently turbulent at this Rayleigh number.

Award INCITE
Domain Materials Science
Hours .65 Million Core-Hours
PI Subramanian Sankaranarayanan, Argonne National Laboratory

Reactive Meroscale Simulations of Tribological Interfaces

Atomistic simulations indicate that both silicon and molybdenum induce structural degradation of nanodiamonds: silicon induces rapid amorphization of the diamond lattice and the amorphous carbon subsequently transforms into carbon onions (pictured) which lead to a near frictionless state.

Award INCITE
Domain Energy Technologies
Hours 17.7 Million Core-Hours
PI Aleksandr Obabko, Argonne National Laboratory

Bringing NE Regulatory Workflow on a Path to Exascale: LES Validation for PANDA

Award INCITE
Domain Materials Science
Hours 12.5 Million Core-Hours
PI Aiichiro Nakano, University of Southern California

Petascale Simulations for Layered Materials Genome

Machine learning-guided computational synthesis of MoS2 monolayer by chemical vapor deposition. The local structures are classified into 1T-crystal (green), 2H-crystal (red) and disordered (blue) phases. Superimposed is a neural-network model for phase/defect identification and classification.

Award INCITE
Domain Engineering
Hours 24 Million Core-Hours
PI Parviz Moin, Stanford University

Large-Eddy Simulation of a Commercial Transport Aircraft Model

Award INCITE
Domain Earth Science
Hours 13.25 Million Core-Hours
PI Gerald Meehl, NCAR

High-Resolution Climate Sensitivity and Prediction Simulations with the CESM

Award INCITE
Domain Materials Science
Hours 17 Million Core-Hours
PI Noa Marom, Carnegie Mellon University

Materials and Interfaces for Organic and Hybrid Photovoltaics

Award INCITE
Domain Physics
Hours 25.6 Million Core-Hours
PI Paul Mackenzie, Fermilab

Lattice QCD

An antiquark (magenta) inside a cloud of gluons (green). USQCD researchers discovered a new and unambiguous way to decide how much of the cloud’s energy should be considered part of the quark mass. This idea was applied to simulation data generated with Mira to compute quark massed from first principles.

Award INCITE
Domain Engineering
Hours 4.5 Million Core-Hours
PI Sanjiva Lele, Stanford University

Shock-Induced Multi-Material Mixing

Award INCITE
Domain Materials Science
Hours 1.75 Million Core-Hours
PI Paul Kent, Oak Ridge National Laboratory

Predictive Simulations of Functional Materials

Diffusion Monte Carlo spin density difference between bulks of potassium-doped nickel oxide and pure nickel oxide, showing the effects of substituting a potassium atom (center atom) for a nickel atom on the spin density of the bulk.

Award INCITE
Domain Materials Science
Hours 5.18 Million Core-Hours
PI Yosuke Kanai, University of North Carolina at Chapel Hill

Advancing Electronic Stopping Simulation: From Solids to DNA

Award INCITE
Domain Engineering
Hours 7.87 Million Core-Hours
PI Koen Hillewaert, Cenaero

DNS Reference Data for Turbulence Model Development on the Bachalo-Johnson ATB

Award INCITE
Domain Physics
Hours 4.15 Million Core-Hours
PI Gaute Hagen, Oak Ridge National Laboratory

Ab-initio Nuclear Structure and Nuclear Reactions

Award INCITE
Domain Earth Science
Hours 1.62 Million Core-Hours
PI Christine Goulet, University of Southern California

Extreme-Scale Simulations for Advanced Seismic Ground Motion and Hazard Modeling

Award INCITE
Domain Engineering
Hours 6 Million Core-Hours
PI Lian Duan, Missouri University of Science and Technology

Laminar-Turbulent Transition in Swept-Wing Boundary Layers

Direct numerical simulations (DNS) capture swept-wing boundary layer transition over a transonic aircraft with laminar flow technology. Near-wall flow visualizations from the DNS confirm the sawtooth nature of transition front as a generic feature of transition due to stationary crossflow vortices regardless of the type of secondary instability. The DNS data provides a clearer interpretation of the surface flow visualizations used in the measurement of transition over swept wings.

Award INCITE
Domain Energy Technologies
Hours .75 Million Core-Hours
PI Sean Dettrick, TAE Technologies, Inc.

Kinetic Simulation of FRC Stability and Transport

Award INCITE
Domain Physics
Hours 9.56 Million Core-Hours
PI Sean Couch, Michigan State University

Extreme-Scale Simulation of Supernovae and Magnetars from Realistic Progenitors

Volume rendering of entropy from a 3D simulation of a magnetorotational core-collapse supernova simulation carried out on Mira. This simulation uses a realistic rotation profile and speed taken from a stellar evolution model that included the effects of rotation and magnetic fields. Simulations such as these are helping the researchers to understand the impact of plausible rotation rates and magnetic field strengths for “typical” core-collapse supernova explosions.

Award INCITE
Domain Energy Technologies
Hours 1.5 Million Core-Hours
PI Choong-Seock Chang, Princeton Plasma Physics Laboratory

High-Fidelity Gyrokinetic Simulation of Tokamak and ITER Edge Physics