Projects: Biological Sciences

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 Biological Sciences
Hours 290,000 Node-Hours

Foundation Neuroscience AI Model-NeuroX

PI Shinjae Yoo , Brookhaven National Laboratory
Yoo ALCC Graphic

Award ALCC
Domain Biological Sciences
Hours 200,000 Node-Hours

Building Digital Twin of a Model Host-Pathogen System for Enhancing Biopreparedness

PI Margaret S. Cheung, Pacific Northwest National Laboratory
Cheung ALCC Graphic

Award INCITE
Domain Biological Sciences
Hours 60,000 Node-Hours

Establishing Digital Twins for High Throughput Cellular Analysis in Whole Blood

PI Amanda Randles, Duke University
Randles INCITE Graphic

Award INCITE
Domain Biological Sciences
Hours 320,000 Node-Hours

Foundation Models for Predictive Molecular Epidemiology

PI Arvind Ramanathan, Argonne National Laboratory
Ramanathan INCITE Graphic

Award INCITE
Domain Biological Sciences
Hours 250,000 node-hours

ExaCortex: Exascale Reconstruction of Human Cerebral Cortex

PI Nicola Ferrier, Argonne National Laboratory
Ferrier INCITE graphic

Award INCITE
Domain Biological Sciences
Hours 330,000 Node-Hours

COMbining Deep-Learning with Physics-Based AffinIty EstimatiOn 3 (COMPBIO3)

PI Peter Coveney, University College London
Coveney Incite Graphic

Award INCITE
Domain Biological Sciences
Hours 200,000 Node-Hours

OpenFold-Powered Machine Learning of Protein-Protein Interactions and Complexes

PI Mohammed AlQuraishi, Columbia University
AlQuraishi INCITE Graphic

Award INCITE
Domain Biological Sciences
Hours 1,625,000 Node-Hours

High-Resolution Ensemble 3D Structures of Genome across Tissues

PI Jie Liang, University of Illinois at Chicago
Liang-Incite-2023

Award INCITE
Domain Biological Sciences
Hours 1,070,000 Node-Hours

Design of Peptides and Proteins on Classical and Quantum Computing Hardware

PI Vikram Mulligan, Flatiron Institute
Mulligan INCITE 2021

Award INCITE
Domain Biological Sciences
Hours 1,000,000 Node-Hours

COMPBIO2: COMbining deep-learning with Physics-Based affinIty estimatiOn 2

PI Peter Coveney, University College London
Coveney Image

Award ALCC
Domain Biological Sciences
Hours 160,000 Node-Hours

Probabilistic Comparative Modeling of Colorectal Cancer Screening Strategies

PI Jonathan Ozik, Argonne National Laboratory
ALCC Ozik

Award INCITE
Domain Biological Sciences
Hours 100,000 Node-Hours

COMPBIO: COMbining deep-learning with Physics-Based affinIty estimatiOn

PI Peter Coveney, University College London
Coveney INCITE 2021

Award INCITE
Domain Biological Sciences
Hours 1,000,000 Node-Hours

Computational Physical Genomics: Exploring Potential Novel Cancer Therapies

PI Allen Taflove, Northwestern University
Taflove INCITE 2020

Award INCITE
Domain Biological Sciences
Hours 5 Million Core-Hours

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

PI Allen Taflove, Northwestern University
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 Aurora ESP
Domain Biological Sciences

Virtual Drug Response Prediction

PI Rick Stevens, Argonne National Laboratory
Stevens Aurora ESP

Award Aurora ESP
Domain Biological Sciences

Extreme-Scale In-Situ Visualization and Analysis of Fluid-Structure-Interaction Simulations

PI Amanda Randles, Duke University and Oak Ridge National Laboratory
Randles Aurora ESP

Award Aurora ESP
Domain Biological Sciences

Enabling Connectomics at Exascale to Facilitate Discoveries in Neuroscience

PI Nicola Ferrier, Argonne National Laboratory
Ferrier Aurora ESP

Award INCITE
Domain Biological Sciences
Hours 92 Million Core-Hours

The Free Energy Landscapes Governing Membrane Protein Function

PI Benoit Roux, University of Chicago
Membrane bound structures of the sarcoplasmic endoplasmic reticulum calcium pump

Award INCITE
Domain Biological Sciences
Hours 160 Million Core-Hours

Biophysical Principles of Functional Synaptic Plasticity in the Neocortex

PI Eilif Muller, Blue Brain Project, EPFL
A visualization of 1 percentof the neurons in a digital reconstruction andsimulation of the neocortex.

Award ADSP
Domain Biological Sciences
Hours 10 Million Core-Hours

Leveraging Non-Volatile Memory, Big Data and Distributed Workflow Technology to Leap Forward Brain Modeling

PI Fabien Delalondre, Ecole Federale Polytechnique de Lausanne