Data Science in the News

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Model for COVID-19 drug discovery a Gordon Bell finalist

Nov. 17, 2020 - 
A machine learning model developed by a team of LLNL scientists to aid in COVID-19 drug discovery efforts is a finalist for the Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research. Using Sierra, the world’s third fastest supercomputer, LLNL scientists produced a more accurate and efficient generative model to enable COVID-19 researchers to produce novel compounds...

DOE announces five new energy projects at LLNL

Nov. 13, 2020 - 
The DOE today announced two rounds of awards for the High Performance Computing for Energy Innovation Program HPC4EI), including five projects at LLNL. HPC4EI connects industry with the computational resources and expertise of the DOE national laboratories to solve challenges in manufacturing, accelerate discovery and adoption of new materials and improve energy efficiency. The awards were...

From intern to mentor, Nisha Mulakken builds a career in bioinformatics

Nov. 3, 2020 - 
The COVID-19 pandemic has sparked a wave of new research and development at the Lab, and Nisha Mulakken is very busy. The biostatistician has enhanced the Lawrence Livermore Microbial Detection Array (LLMDA) system with detection capability for all variants of SARS-CoV-2. The technology detects a broad range of organisms—viruses, bacteria, archaea, protozoa, and fungi—and has demonstrated...

Machine learning speeds up and enhances physics calculations

Oct. 1, 2020 - 
Interpreting data from NIF’s cutting-edge high energy density science experiments relies on physics calculations that are so complex they can challenge LLNL supercomputers, which stand among the best in the world. A collaboration between LLNL and French researchers found a novel way to incorporate machine learning and neural networks to significantly speed up inertial confinement fusion...

The internship that launched a machine-learning target revolution

Oct. 1, 2020 - 
Kelli Humbird came to LLNL as a student intern and became a teacher of new data science techniques. In this profile, she describes her experiences and the path that led to her research inertial confinement fusion. Read more at the National Ignition Facility.

Advancing healthcare with data science (VIDEO)

Aug. 3, 2020 - 
This video provides an overview of projects in which data scientists work with domain scientists to address major challenges in healthcare. To help fight the COVID-19 pandemic, researchers are developing computer models to search for potential antibody and antiviral drug treatments, sharing a data portal with scientists and the general public, and analyzing drug compounds via a novel text...

Machine learning model may perfect 3D nanoprinting

July 29, 2020 - 
Two-photon lithography (TPL)—a widely used 3D nanoprinting technique that uses laser light to create 3D objects—has shown promise in research applications but has yet to achieve widespread industry acceptance due to limitations on large-scale part production and time-intensive setup. LLNL scientists and collaborators turned to machine learning to address two key barriers to industrialization...

Lockdown doesn’t hinder annual Data Science Challenge

June 26, 2020 - 
Due to the COVID-19 pandemic and shelter-in-place restrictions, this year’s Data Science Challenge with the University of California, Merced was an all-virtual offering. The two-week challenge involved 21 UC Merced students who worked from their homes through video conferencing and chat programs to develop machine learning models capable of differentiating potentially explosive materials from...

Modeling neuronal cultures on 'brain-on-a-chip' devices

June 12, 2020 - 
For the past several years, LLNL scientists and engineers have made significant progress in development of a three-dimensional “brain-on-a-chip” device capable of recording neural activity of human brain cell cultures grown outside the body. The team has developed a statistical model for analyzing the structures of neuronal networks that form among brain cells seeded on in vitro brain-on-a...

Carnegie Live: high energy density science and AI (VIDEO)

June 9, 2020 - 
In this Carnegie Live video, Seiichi Shimasaki, Science Counselor for the Japanese embassy in the U.S., described a multiyear science research program (nicknamed the “Moonshot”) to develop new technologies that help solve some of society’s most pressing challenges. He explained that the Government of Japan was looking for a data science program to mentor young scientists, which led to the...

AI identifies change in microstructure in aging materials

May 26, 2020 - 
LLNL scientists have taken a step forward in the design of future materials with improved performance by analyzing its microstructure using AI. The work recently appeared online in the journal Computational Materials Science. Read more at LLNL News.

COVID-19 research goes public through new portal

May 18, 2020 - 
A new online data portal is making available to the public a wealth of data LLNL scientists have gathered from their ongoing COVID-19 molecular design projects, particularly the computer-based “virtual” screening of small molecules and designed antibodies for interactions with the SARS-CoV-2 virus for drug design purposes. The portal houses a wealth of data LLNL scientists have gathered from...

Building knowledge and insights using machine learning of scientific articles

May 5, 2020 - 
Nanomaterials are widely used at LLNL and in industry for many applications from catalysis to optics to additive manufacturing. The combination of nanomaterials’ shape, size, and composition can impart unique optical, electrical, mechanical, or catalytic properties needed for a specific application. However, synthesizing a specific nanomaterial and scaling up its production is often...

The incorporation of machine learning into scientific simulations at LLNL (VIDEO)

May 5, 2020 - 
In this video from the Stanford HPC Conference, Katie Lewis presents "The Incorporation of Machine Learning into Scientific Simulations at Lawrence Livermore National Laboratory." Read more and watch the video at insideHPC.

New ML platform generates novel COVID-19 antibody sequences for experimental testing

May 1, 2020 - 
LLNL researchers have identified an initial set of therapeutic antibody sequences, designed in a few weeks using machine learning and supercomputing, aimed at binding and neutralizing SARS-CoV-2, the virus that causes COVID-19. The research team is performing experimental testing on the chosen antibody designs. Read more at LLNL News.

Upgrades for LLNL supercomputer from AMD, Penguin Computing aid COVID-19 research

April 21, 2020 - 
Under a new agreement, AMD will supply upgraded graphics accelerators for LLNL’s Corona supercomputing cluster, expected to nearly double the system’s peak compute power. The system will be used by scientists through the public/private COVID-19 HPC Consortium, and by LLNL researchers, who are working on discovering potential antibodies and anti-viral compounds for SARS-CoV-2, the virus that...

Local Women in Data Science conference showcases Lab research

April 3, 2020 - 
For the third consecutive year, LLNL hosted a Women in Data Science (WiDS) regional event on March 2. The event drew dozens of attendees from LLNL, Sandia National Laboratories, local universities, and Bay Area commercial companies. Livermore was one of over 200 regional events in 60 countries coordinated with the main WiDS conference at Stanford University. According to the WiDS website...

LLNL creates web resources to aid in fight against COVID-19

March 30, 2020 - 
LLNL is fully committed to helping protect the U.S. from COVID-19 and to speed the recovery of those affected. As a world-class research institute, we have considerable infrastructure, unique research capabilities and a dedicated team of scientists and engineers supporting the fight against the COVID-19 pandemic. Our current COVID-19 research and response activities are focused on four broad...

New partnership to unleash U.S. supercomputing resources in the fight against COVID-19

March 26, 2020 - 
The White House announced the launch of the COVID-19 High Performance Computing Consortium to provide COVID-19 researchers worldwide with access to the world’s most powerful high performance computing resources that can significantly advance the pace of scientific discovery in the fight to stop the virus. Read more at LLNL News.

Lab antibody, anti-viral research aids COVID-19 response

March 26, 2020 - 
LLNL scientists are contributing to the global fight against COVID-19 by combining artificial intelligence/machine learning, bioinformatics and supercomputing to help discover candidates for new antibodies and pharmaceutical drugs to combat the disease. Armed with the virus’ predicted 3D structure and a few antibodies known to bind and neutralize SARS, an LLNL team led by Daniel Faissol and...