ALL NPPS Members

[Maxim Potekhin <potekhin AT bnl.gov>]

    Dear All,
    
    I wrote to Kerstin but if some of you already have links or any
    other information
    regarding this effort, I would appreciate it if you share.
    
    Maxim

-------- Forwarded Message -------- Subject: Call for volunteers for computational effort support the BNL COVID-19 response Date: Sun, 29 Mar 2020 18:36:59 +0000 From: Capasso, Frances <capasso AT bnl.gov> To: Physics Personnel <PhysicsPersonnel AT bnl.gov>, CAD Personnel List <allcad AT bnl.gov>, SuperMagnet Div Personnel <supmagnetdiv AT bnl.gov>

To the members of the Nuclear and Particle Physics Directorate,

 

Kindly review the email below in request for volunteers in support of BNL COVID-19.

 

Thank you for your consideration.

Regards,

Fran

Fran Capasso

Assistant to the Associate Laboratory Director

For Nuclear and Particle Physics

Brookhaven National Laboratory

20 Pennsylvania Street

PO Box 5000, Building 510F

Upton, NY 11973

 

Phone: 631.344.3830

Email:   capasso AT bnl.gov

 

========

 

From: Kleese Van Dam, Kerstin <kleese AT bnl.gov>
Sent: Saturday, March 28, 2020 4:35 PM
To: BNL COVID-19 S&T Working Group <BNLCOVID-19STWorkingGroup AT brookhavenLab.onmicrosoft.com>
Cc: Kleese Van Dam, Kerstin <kleese AT bnl.gov>
Subject: Call for volunteers for computational effort support the BNL COVID-19 response
Importance: High

 

Dear all,

I realized this email was stuck in my draft folder. As mentioned on our call CSI is looking for volunteers to help with our COVID-19 efforts, could you please distribute the below to your staff. It would be greatly appreciated if you could cover staff time to work on this effort, if not we'll still consider the people, but our CSI resources are limited.

 

Can you help with the COVID-19 response at BNL?

CSI and its partners are heavily engaged in computational efforts to find a new treatments for COVID-19. We have a number of areas, where we urgently need more help, to be able to make faster progress:

Converting 1.2 Billion Smile strings into 3D structures with charges, we need these to start our computational studies - we have the data, we have the tools, but need people who help us to run the programs and check they ran correctly.  300,000 Autodock runs, to test an initial set of structures against possible drug targets - we have the data and program to get started.  For both tasks a basic understanding of computing in high performance systems, and preferably experience with our Institutional Clusters or similar systems would be needed.

Many thanks,

Kerstin

 

Kerstin Kleese van Dam

Director Computational Science Initiative

Brookhaven National Laboratory

Building 725, room 2-127B

PO Box 5000

Upton, New York, 11973-5000

 

Phone 631 344-6019

Cell 509 221-0758

Kleese AT bnl.gov