LLNL Computing’s ground-breaking research and development activities, innovative technologies, and world-class staff are often featured in various media outlets.

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Source: LLNL News

## Multiscale model of protein behavior linked to cancer-causing mutations

LLNL researchers and collaborators have developed a highly detailed, ML–backed multiscale model revealing the importance of lipids to RAS, a family of proteins whose mutations are linked to many cancers.

AI/ML Biology/Biomedicine Computational Science Data Science Open-Source Software

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Source: LLNL Computing

## CASC Newsletter | Vol 11 | December 2021

Highlights include power grid challenges, performance analysis, complex boundary conditions, and a novel multiscale modeling approach.

AI/ML Biology/Biomedicine Computational Math Computational Science Critical Infrastructure Data Science HPC Systems and Software Mathematical Optimization Open-Source Software Performance, Portability, and Productivity Transport UQ and Statistics

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Source: LLNL Computing

## Kathleen Shoga leads the way for SC21 Student Cluster Competition

With a history of student participation and committee service, LLNL computer scientist Kathleen Shoga chaired this year’s competition.

Cluster Management Events HPC Systems and Software Outreach Students

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Source: LLNL Computing

## SC21 event calendar

LLNL is participating in the 33rd annual Supercomputing Conference (SC21), which will be held both virtually and in St. Louis on November 14–19, 2021.

Data Science Deep Learning Emerging Architectures Events HPC Systems and Software

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Source: LLNL Computing

## MFEM team hosts first community workshop

The MFEM software library provides high-order mathematical algorithms for large-scale scientific simulations. An October workshop brought together MFEM’s global user and developer community for the first time.

Computational Math Computational Science Discrete Mathematics Events Exascale Open-Source Software Outreach PDE Methods Software Libraries

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Source: LLNL Computing

## Just DO IT: new internship program introduces students to DevOps

Computing’s newest internship program focuses on DevOps methodologies. The inaugural class of 2021 built a persistent data services provisioning application that will soon assist real Livermore Computing users.

DevOps Diversity SDLC Methodologies Software Applications Software Engineering Students

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Source: LLNL Computing

## GHC21: Grace Hopper Celebration

Many LLNL women and allies attend Grace Hopper Celebration every year to learn, to network, and to be inspired.

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Source: LLNL Computing

## Summer hackathon tradition continues virtually

Each new season brings another hackathon, and Computing’s 2021 summer event took place on August 12–13.

Hackathons HPC Systems and Software Programming Languages and Models Software Applications Software Engineering Students Web Technologies

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Source: LLNL Computing

## Dev Day makes the most of virtual format

Held virtually on July 15, our fifth annual Developer Day featured lightning talks, a technical deep dive, “quick takes” on remote-development resources, presentations about career paths, and a career development panel discussion.

Careers Events Open-Source Software Software Applications Software Engineering Software Libraries Web Technologies

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Source: LLNL Computing

## Career panel series kicks off with women in Computing leadership roles

More than 100 LLNL staff and students gathered virtually for the first session of a new career panel series inspired by the annual Women in Data Science conference and sponsored by the Data Science Institute.

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Source: LLNL Computing

## ISC21 event calendar

LLNL participates in the digital ISC High Performance Conference (ISC21) on June 24 through July 2.

Events HPC Systems and Software Performance, Portability, and Productivity Software Build and Installation

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Source: LLNL Computing

## A winning strategy for deep neural networks

New research debuting at ICLR 2021 demonstrates a learning-by-compressing approach to deep learning that outperforms traditional methods without sacrificing accuracy.

AI/ML Computational Math Data Science Deep Learning ML Theory Scientific ML

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Source: LLNL Computing

## CASC Newsletter | Vol 10 | April 2021

Highlights include scalable deep learning, high-order finite elements, data race detection, and reduced order models.

AI/ML Biology/Biomedicine Computational Math Computational Science Data Science Data-Driven Decisions Debugging and Correctness Deep Learning Discrete Mathematics HPC Systems and Software Hydrodynamics Mathematical Optimization Open-Source Software Performance, Portability, and Productivity Power Management Programming Languages and Models Solvers Transport

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Source: LLNL Computing

## SIAM CSE21 event calendar

Our researchers will be well represented at the virtual SIAM Conference on Computational Science and Engineering (CSE21) on March 1–5. SIAM is the Society for Industrial and Applied Mathematics with an international community of more than 14,500 individual members.

Algorithms at Scale Computational Math Computational Science Data Science Deep Learning Discrete Mathematics Exascale Fault Tolerance and Resilience HPC Systems and Software PDE Methods Performance, Portability, and Productivity Programming Languages and Models UQ and Statistics

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Source: LLNL Computing

## CASC research in ML robustness debuts at AAAI conference

Three papers address feature importance estimation under distribution shifts, attribute-guided adversarial training, and uncertainty matching in graph neural networks.

AI/ML Computational Math Data Science Deep Learning ML Theory Scientific ML UQ and Statistics

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Source: LLNL Computing

## CASC Newsletter | Vol 9 | June 2020

Highlights include response to the COVID-19 pandemic, high-order matrix-free algorithms, and managing memory spaces.

AI/ML Biology/Biomedicine Computational Math Computational Science Critical Infrastructure Cyber Security Data Movement and Memory Data Science Deep Learning Discrete Mathematics Emerging Architectures Events HPC Systems and Software Open-Source Software Performance, Portability, and Productivity Resource and Workflow Management

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Source: LLNL Computing

## CASC Newsletter | Vol 8 | August 2019

Highlights include perspectives on machine learning and artificial intelligence in science, data driven models, autonomous vehicle operations, and the OpenMP standard 5.0.

AI/ML Computational Math Computational Science Data Science Data-Driven Decisions Debugging and Correctness Deep Learning HPC Systems and Software Hydrodynamics ML Theory Programming Languages and Models Scientific ML Scientific Visualization

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Source: LLNL Computing

## CASC Newsletter | Vol 7 | December 2018

Highlights include debris and shrapnel modeling at NIF, scalable algorithms for complex engineering systems, magnetic fusion simulation, and data placement optimization on GPUs.

Computational Math Computational Science Data Movement and Memory Discrete Mathematics Exascale HPC Systems and Software Hybrid/Heterogeneous Hydrodynamics Lasers and Optics Materials Science Mathematical Optimization PDE Methods Solvers

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Source: LLNL Computing

## CASC Newsletter | Vol 6 | August 2018

Highlights include CASC director Jeff Hittinger's vision for the center as well as recent work with PruneJuice DataRaceBench, Caliper, and SUNDIALS.

Computational Math Data Science Debugging and Correctness Exascale HPC Architectures HPC Systems and Software ODE Methods Open-Source Software Programming Languages and Models Resource and Workflow Management Solvers

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Source: LLNL Computing

## CASC Newsletter | Vol 5 | April 2018

Highlights include the latest work with RAJA, the Exascale Computing Project, algebraic multigrid preconditioners, and OpenMP.

Compiler Technology Computational Math Computational Science Exascale HPC Architectures HPC Systems and Software Hybrid/Heterogeneous Hydrodynamics PDE Methods Performance, Portability, and Productivity Power Management Programming Languages and Models

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Source: LLNL Computing

## CASC Newsletter | Vol 4 | January 2018

Highlights include complex simulation codes, uncertainty quantification, discrete event simulation, and the Unify file system.

Compiler Technology Computational Math Computational Science Discrete Mathematics Exascale HPC Systems and Software Resource and Workflow Management Storage, File Systems, and I/O UQ and Statistics

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Source: LLNL Computing

## CASC Newsletter | Vol 3 | October 2017

Highlights include recent LDRD projects, Livermore Tomography Tools, our work with the open-source software community, fault recovery, and CEED.

AI/ML Co-Design Computational Math Computational Science Data Science Deep Learning Discrete Mathematics Exascale Fault Tolerance and Resilience HPC Architectures HPC Systems and Software Hybrid/Heterogeneous Open-Source Software Resource and Workflow Management Software Build and Installation

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Source: LLNL Computing

## CASC Newsletter | Vol 2 | July 2017

Highlights include the directorate's annual external review, machine learning for ALE simulations, CFD modeling for low-carbon solutions, seismic modeling, and an in-line floating point compression tool.

AI/ML Computational Math Computational Science Data Compression Data Science Discrete Mathematics Exascale Hydrodynamics Open-Source Software Seismology

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Source: LLNL Computing

## CASC Newsletter | Vol 1 | April 2017

Highlights include the HYPRE library, recent data science efforts, the IDEALS project, and the latest on the Exascale Computing Project.

AI/ML Algorithms at Scale Biology/Biomedicine Computational Math Computational Science Data Science Data-Driven Decisions Exascale HPC Architectures HPC Systems and Software Hybrid/Heterogeneous Open-Source Software Solvers