ALCC

Type Research Project
Year

Ion Solvation, Catalytic Interfaces, and Extreme Aqueous Environments: An Ab Initio Study of Liquid Water

A systematization of a lithium atom (yellow) immersed into an aqueous environment.

Type Research Project
Year

Large-Scale Turbulent Clean Coal Combustion

Type News
Published

ALCC program awards 1.64 billion hours of supercomputing time at ALCF

Influence of Morphology on Proton Transport in Proton Exchange Membranes (PI: Gregory Voth, University of Chicago)

Type Media Hits
Published

New Perspective on a Corrosive Problem

Type News
Published

The Core of Corrosion

Corrosion

Type Research Project
Year

Protein Binding and Interaction Analysis of Human Pathogen Protein Targets

NDM-1 enzyme’s structure revealed a large cavity (dark gray) capable of binding a variety of known antibiotics (shown in different colors)

Type Media Hits
Published

Rewinding the universe

Type Research Project
Year

Large Eddy Simulation of SFR Assembly Inlets

Type Research Project
Year

First-Principle Investigation of Oxygen Defects in Metal/Oxide/Metal Heterostructures: Structure, Energetics, and Transport in the Quantum Regime

Type Research Project
Year

Dynamics of Conformational Transition in Polymer Grafted Nanoparticles

Conformational dynamics across lower critical solution temperature in a polymer brush structure grafted on metal nanoparticle.

Type Research Project
Year

Atomistic simulations of Nanoscale Oxides and Oxide Interfaces

Type News
Published

Supercomputers help unravel twists in next-generation smart polymers

Type Media Hits
Published

Princeton group working out water’s molecular mysteries

Type News
Published

ALCC Program Awards 809 Million Hours of ALCF Supercomputer Time

Parviz Moin was awarded 150 million core-hours for sound technologies in aircrafts

Type Research Project
Year

Understanding Helium Plasma Mediated Tungsten Surface Response that Controls Plasma Facing Component Performance and Lifetime

Type Research Project
Year

Petascale Simulation of Laser Plasma Interactions Relevant to Inertial Fusion Energy

Type Research Project
Year

Chombo-Crunch: Advanced Simulation of Subsurface Flow and Reactive Transport Processes Associated with Carbon Sequestration

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

Type Research Project
Year

U.S. Russia Collaboration on Cross-Verification and Validation in Thermal Hydraulics: Nek5000, Cfoam-CABARET, and Conv3D, Simulations of MATiS and MAX Experiments

Axial velocity in Nek5000 LES simulation of 2012 OECD/NEA Matis benchmark experiment which is one of the experiments chosen for cross-verification and validation in 2013 ALCC project.

Type Research Project
Year

Large-Scale Computation for Discovery and Design of Excited State Phenomena in Next-Generation Energy Conversion Materials

Type Research Project
Year

Does A Turbulent Duct Flow Ever Become Two-Dimensional