NPPS Leadership Team

[Torre Wenaus <wenaus AT gmail.com>]

(not participating)

---------- Forwarded message ---------
From: Gao, Haiyan <hgao AT bnl.gov>
Date: Fri, Mar 11, 2022 at 9:07 AM
Subject: FW: Computational Science Strategy Development Workshop
To: Lancon, Eric <elancon AT bnl.gov>, Ma, Hong <hma AT bnl.gov>, Dunlop, James C <dunlop AT bnl.gov>, Torre Wenaus <wenaus AT gmail.com>, Petreczky, Peter <Petreczk AT bnl.gov>, Boyle, Peter <pboyle AT bnl.gov>, Brown, Kevin A <brownk AT bnl.gov>, Minty, Michiko <minty AT bnl.gov>, Fischer, Wolfram <wfischer AT bnl.gov>

FYI. -Haiyan

 

*****************************************************************

Haiyan Gao

Associate Laboratory Director, Nuclear and Particle Physics

Brookhaven National Laboratory

Building 510, 1-34

Email: hgao AT bnl.gov

Phone: 631-344-2431 (office), 631-461-2867 (cell)

 

*****************************************************************

 

From: Kleese Van Dam, Kerstin <kleese AT bnl.gov>
Date: Friday, March 11, 2022 at 9:00 AM
To: Peragine, Laurie <lperagine AT bnl.gov>, Alexander, Francis <falexander AT bnl.gov>, Gibbs, Doon L <gibbs AT bnl.gov>, Tribble, Robert <rtribble AT bnl.gov>, Anderson, Jack <janderson AT bnl.gov>, Schoonen, Martin <mschoonen AT bnl.gov>, Misewich, James <misewich AT bnl.gov>, Hill, John <hill AT bnl.gov>, Asner, David <dasner AT bnl.gov>, Yeck, Jim <jyeck AT bnl.gov>, Gao, Haiyan <hgao AT bnl.gov>, Lin, Meifeng <mlin AT bnl.gov>, Fischer, Wolfram <wfischer AT bnl.gov>, Urban, Nathan <nurban AT bnl.gov>, Jha, Shantenu <shantenu AT bnl.gov>, D'Imperio, Nicholas <dimperio AT bnl.gov>, Hoisie, Adolfy <ahoisie AT bnl.gov>, Yoo, Shinjae <sjyoo AT bnl.gov>, Cao, Chuntian <ccao AT bnl.gov>, Wu, Longlong <lwu AT bnl.gov>, Lopez-Marrero, Vanessa <vlopezmar AT bnl.gov>, Carbone, Matthew <mcarbone AT bnl.gov>, Van Dam, Hubertus <hvandam AT bnl.gov>, Isenberg, Natalie <nisenberg AT bnl.gov>, Reyes, Kristofer-Roy <kreyes AT bnl.gov>, Mohammad Atif, FNU <fmohammad AT bnl.gov>, Varshney, Lav <lvarshney AT bnl.gov>, Yoon, Byung Jun <byoon AT bnl.gov>, Qian, Xiaoning <xqian1 AT bnl.gov>, DeGennaro, Anthony <adegennaro AT bnl.gov>, Li, Lingda <lli AT bnl.gov>, Luo, Xihaier <xluo AT bnl.gov>, Soto, Carlos <csoto AT bnl.gov>, Hormozi, Layla <hormozi AT bnl.gov>, Ren, Yihui <yren AT bnl.gov>, Kelly, Christopher <ckelly AT bnl.gov>, Pascuzzi, Vincent <vpascuzzi AT bnl.gov>, Dong, Zhihua <zdong AT bnl.gov>, Denisov, Dmitri <denisovd AT bnl.gov>, Varshney, Lav R <varshney AT illinois.edu>
Subject: Re: Computational Science Strategy Development Workshop

Dear all,

This is just a gentle reminder that we are meeting for our workshop kick off today at 1pm. Please feel free to forward the meeting invite to anyone in your directorates that would benefit, the same goes of course for the later topic/directorate specific breakout meetings.

See you later,

Kerstin

 

Kerstin Kleese Van Dam
Director
Computational Science Initiative

Building 725, room 2-127B
Office: 631.344.6019

Cell: 509 221 0758
kleese AT bnl.gov

Twitter | Facebook | Instagram | LinkedIn

 

 

 

From: lperagine AT bnl.gov
When: 1:00 PM - 2:00 PM March 11, 2022
Subject: Computational Science Strategy Development Workshop
Location: Microsoft Teams Meeting

 

 

Workshop info

 

Kick-off workshop for the BNL Computational Science Strategy Development

Computational Science – the development of advanced mathematical and computational models to study complex physical, materials, chemical, biological or environmental processes – continues to be a rapidly growing field of science. Computational science is an extension of domain specific theoretical sciences, allowing the simulation of complex phenomena that cannot be experimentally observed or would take too long to observe. Its key strength is its ability to predict the evolution of complex phenomena and scenarios based on sound approximations of their theoretical basis. Computational science is a multi-disciplinary field that requires the close collaboration of domain scientist, computer scientists and applied mathematicians, to translate theoretical knowledge into validated, scalable computational models. DOE labs have been leaders in creating widely adopted community models that are critical to investigate the type of complex grand challenges that DOE specializes in. You can see the leading codes selected by DOE offices for the Exascale Computing Project here https://www.exascaleproject.org/research/#application , drilling down you will find the grand science (not computer science) challenges that they are aiming to solve.

 

CSI is delivering some of the key underpinning technologies for many of those projects from programming models, performance portability & scalability, model integration, uncertainty quantification, reproducbility to AI acceleration and multi-scale modeling support. However while BNL is involved in two of the domain science model development projects, it is not leading any of these developments. Many larger scale or more complex modeling needs at BNL are currently filled by utilizing existing community models or working with outside partners to develop those models. Looking at our BNL computational science strategy development, we want to use this workshop to find out:

• What are the problems that we want / need to address through larger scale computational modeling?
• Are the relevant models available to us?
• Are there complex challenges we want to address, where no community code exist to date that could solve them? – Are there opportunities to partner with others or develop our own community code for a BNL mission critical grand challenge?

 

We will have a 1 hour plenary meeting to set the scene and answer questions, followed by directorate specific 2 hour working meetings in the following week, we will finish with a 2 hour plenary meeting to discuss the outcomes of the breakout meetings.

 

Examples of smaller scale CSI collaborations at BNL:

New Calculation Refines Comparison of Matter with Antimatter https://www.bnl.gov/newsroom/news.php?a=117325

Predicting X-ray Absorption Spectra from Graphs https://www.bnl.gov/newsroom/news.php?a=217215

Gold in Limbo Between Solid and Melted States https://www.bnl.gov/newsroom/news.php?a=117020

 

 

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-- Torre Wenaus, BNL NPPS Group, ATLAS Experiment

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