|
1.
|
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers
/ Bhati, Agastya P (University Coll. London) ; Wan, Shunzhou (U. Coll. London) ; Alfè, Dario (U. Coll. London) ; Clyde, Austin R (Chicago U.) ; Bode, Mathis (RWTH Aachen U.) ; Tan, Li (Brookhaven Natl. Lab.) ; Titov, Mikhail (Rutgers U., Piscataway) ; Merzky, Andre (Rutgers U., Piscataway) ; Turilli, Matteo (Rutgers U., Piscataway) ; Jha, Shantenu (Brookhaven Natl. Lab. ; Rutgers U., Piscataway) et al.
The race to meet the challenges of the global pandemic has served
as a reminder that the existing drug discovery process is expensive, inefficient
and slow. There is a major bottleneck screening the vast number of potential
small molecules to shortlist lead compounds for antiviral drug development.
New opportunities to accelerate drug discovery lie at the interface between
machine learning methods, in this case, developed for linear accelerators,
and physics-based methods. [...]
2021 - 12 p.
- Published in : Interface Focus 11 (2021) 20210018
|
|
|
2.
|
|
|
Enhancements in Functionality of the Interactive Visual Explorer for ATLAS Computing Metadata
/ Grigoryeva, Maria (M.V.Lomonosov Moscow State University) ; Titov, Mikhail (M.V.Lomonosov Moscow State University) ; Padolski, Siarhei (Brookhaven National Laboratory (BNL)) ; Klimentov, Alexei (Brookhaven National Laboratory (BNL)) ; Alekseev, Aleksandr (Universidad Andres Bello) ; Artamonov, Aleksei (National Research Nuclear University MEPhI) ; Korchuganova, Tatiana (Universidad Andres Bello) ; Galkin, Timofei (National Research Nuclear University MEPhI)
The development of the Interactive Visual Explorer (InVEx), a visual analytics tool for ATLAS computing metadata, includes research of various approaches for data handling both on server and client sides. [...]
ATL-SOFT-PROC-2020-008.
-
2020. - 5 p.
Original Communication (restricted to ATLAS) - Full text
|
|
|
3.
|
Enhancements in Functionality of the Interactive Visual Explorer for ATLAS Computing Metadata
/ Grigoryeva, Maria (M.V.Lomonosov Moscow State University) ; Titov, Mikhail (M.V.Lomonosov Moscow State University) ; Klimentov, Alexei (Brookhaven National Laboratory (BNL)) ; Padolski, Siarhei (Brookhaven National Laboratory (BNL)) ; Alekseev, Aleksandr (M.V.Lomonosov Moscow State University) ; Korchuganova, Tatiana (M.V.Lomonosov Moscow State University)
/ATLAS Collaboration
The development of the Interactive Visual Explorer (InVEx), a visual analytics tool for ATLAS computing metadata, includes research of various approaches for data handling both on server and on client sides. InVEx is implemented as a web-based application which aims at the enhancing of analytical and visualization capabilities of the existing monitoring tools, and facilitate the process of data analysis with the interactivity and human supervision. [...]
ATL-SOFT-SLIDE-2019-785.-
Geneva : CERN, 2019 - 1 p.
Fulltext: PDF; External link: Original Communication (restricted to ATLAS)
In : 24th International Conference on Computing in High Energy and Nuclear Physics, Adelaide, Australia, 4 - 8 Nov 2019
|
|
|
4.
|
The second generation of the ATLAS Production System: expertise and future evolution
/ Borodin, Mikhail (University of Iowa) ; Klimentov, Alexei (Brookhaven National Laboratory (BNL)) ; Golubkov, Dmitry (Institute for High Energy Physics of the National Research Centre Kurchatov Institute, Protvino) ; Titov, Mikhail (NRC Kurchatov Institute Tier site) ; Maeno, Tadashi (Brookhaven National Laboratory (BNL)) ; Barreiro Megino, Fernando Harald (The University of Texas at Arlington) ; Nilsson, Paul (Brookhaven National Laboratory (BNL))
/ATLAS Collaboration
ATLAS production system called ProdSys2 is used during Run2 to define and to organize workflows and to schedule, submit and execute payloads in a distributed computing infrastructure. We design ProdSys2 to manage all ATLAS workflows: data (re)processing, MC simulation, physics groups analysis objects production, High Level Trigger processing, SW release building and user analysis. [...]
ATL-SOFT-SLIDE-2019-069.-
Geneva : CERN, 2019 - 13 p.
Fulltext: PDF; External link: Original Communication (restricted to ATLAS)
In : 19th International Workshop on Advanced Computing and Analysis Techniques in Physics Research, Saas Fee, Switzerland, 11 - 15 Mar 2019
|
|
|
5.
|
A New Visual Analytics toolkit for ATLAS metadata
/ Grigoryeva, Maria (CERN Tier-0) ; Titov, Mikhail (NRC Kurchatov Institute Tier site) ; Klimentov, Alexei (Brookhaven National Laboratory (BNL)) ; Korchuganova, Tatiana (CERN Tier-0) ; Alekseev, Aleksandr (CERN Tier-0) ; Galkin, Timofei (National Research Nuclear University MEPhI) ; Piliugin, Viktor (National Research Nuclear University MEPhI (RU)) ; Padolski, Siarhei (Brookhaven National Laboratory (BNL))
/ATLAS Collaboration
The ATLAS experiment at the LHC has a complex heterogeneous distributed computing infrastructure, which is used to process and analyse exabytes of data. Metadata are collected and stored at all stages of physics analysis and data processing. [...]
ATL-SOFT-SLIDE-2019-052.-
Geneva : CERN, 2019 - 1 p.
Fulltext: PDF; External link: Original Communication (restricted to ATLAS)
In : 19th International Workshop on Advanced Computing and Analysis Techniques in Physics Research, Saas Fee, Switzerland, 11 - 15 Mar 2019
|
|
|
6.
|
|
|
7.
|
|
|
The ATLAS Production System Predictive Analytics service: an approach for intelligent task analysis
/ Titov, Mikhail (NRC Kurchatov Institute Tier site) ; Borodin, Mikhail (University of Iowa) ; Golubkov, Dmitry (Institute for High Energy Physics of the National Research Centre Kurchatov Institute, Protvino) ; Klimentov, Alexei (Brookhaven National Laboratory (BNL))
The second generation of the Production System (ProdSys2) of the ATLAS experiment (LHC, CERN), in conjunction with the workload management system PanDA (Production and Distributed Analysis), represents a complex set of computing components that are responsible for defining, organizing, scheduling, starting and executing payloads in a distributed computing infrastructure. [...]
ATL-SOFT-PROC-2018-021.
-
2018. - 5 p.
Original Communication (restricted to ATLAS) - Full text
|
|
|
8.
|
|
|
9.
|
Visual Cluster Analysis for Computing Tasks at Workflow Management System of the ATLAS Experiment at the LHC
/ Grigoryeva, Maria (CERN Tier-0) ; Korchuganova, Tatiana (CERN Tier-0) ; Padolski, Siarhei (Brookhaven National Laboratory (BNL)) ; Klimentov, Alexei (Brookhaven National Laboratory (BNL)) ; Titov, Mikhail (NRC Kurchatov Institute Tier site)
/ATLAS Collaboration
Hundreds of petabytes of experimental data in high energy and nuclear physics (HENP) have already been obtained by unique scientific facilities, such as LHC, RHIC, KEK. As the accelerators are being modernized (energy and luminosity are increasing), data volumes are rapidly growing and have reached the exabyte scale, that also leads to an increasing the number of analysis and data processing tasks, that are competing continuously for computational resources. [...]
ATL-SOFT-SLIDE-2018-756.-
Geneva : CERN, 2018 - 19 p.
Fulltext: PDF; External link: Original Communication (restricted to ATLAS)
|
|
|
10.
|
The ATLAS Production System Predictive Analytics service: an approach for intelligent task analysis
/ Titov, Mikhail (NRC Kurchatov Institute Tier site) ; Borodin, Mikhail (University of Iowa) ; Golubkov, Dmitry (State Research Center Institute for High Energy Physics (Protvino), NRC KI) ; Klimentov, Alexei (Brookhaven National Laboratory (BNL))
/ATLAS Collaboration
The second generation of the Production System (ProdSys2) of the ATLAS experiment (LHC, CERN), in conjunction with the workload management system - PanDA (Production and Distributed Analysis), represents a complex set of computing components that are responsible for defining, organizing, scheduling, starting and executing payloads in a distributed computing infrastructure. ProdSys2/PanDA are responsible for all stages of (re)processing, analysis and modeling of raw and derived data, as well as simulation of physical processes and functioning of the detector using Monte Carlo methods. [...]
ATL-SOFT-SLIDE-2018-706.-
Geneva : CERN, 2018
Fulltext: PDF; External link: Original Communication (restricted to ATLAS)
In : The 8th International Conference "Distributed Computing and Grid-technologies in Science and Education" (GRID 2018), Dubna, Russian Federation, 10 - 14 Sep 2018
|
|
email alert
or subscribe to the 
RSS feed.