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Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic…

Biomolecules · Quantitative Biology 2022-11-04 Yuancheng Sun , Yimeng Chen , Weizhi Ma , Wenhao Huang , Kang Liu , Zhiming Ma , Wei-Ying Ma , Yanyan Lan

Increased demands in the field of scientific computation require that algorithms be more efficiently implemented. Maintaining correctness in addition to efficiency is a challenge that software engineers in the field have to face. In this…

Software Engineering · Computer Science 2018-02-15 Bernhard Beckert , Britta Nestler , Moritz Kiefer , Michael Selzer , Mattias Ulbrich

Context: Experiment replications play a central role in the scientific method. Although software engineering experimentation has matured a great deal, the number of experiment replications is still relatively small. Software engineering…

Software Engineering · Computer Science 2024-02-13 Martín Solari , Sira Vegas , Natalia Juristo

With the advent of open source software, a veritable treasure trove of previously proprietary software development data was made available. This opened the field of empirical software engineering research to anyone in academia. Data that is…

Software Engineering · Computer Science 2022-04-19 Adam Tutko , Austin Z. Henley , Audris Mockus

The Running Average Power Limit (RAPL) interface is widely used to estimate software energy consumption via CPU and DRAM counters, but tool design differences and high-frequency polling can introduce measurement overhead, namely, extra time…

Software Engineering · Computer Science 2026-04-30 Jeremy Diamond , Vincenzo Stoico

ROOT is high energy physics' software for storing and mining data in a statistically sound way, to publish results with scientific graphics. It is evolving since 25 years, now providing the storage format for more than one exabyte of data;…

Accurately estimate performance of currently available processors is becoming a key activity, particularly in HENP environment, where high computing power is crucial. This document describes the methods and programs, opensource or freeware,…

High Energy Physics - Experiment · Physics 2007-05-23 R. Esposito , P. Mastroserio , G. Tortone , F. M. Taurino

Experimental Particle Physics has been at the forefront of analyzing the world's largest datasets for decades. The HEP community was among the first to develop suitable software and computing tools for this task. In recent times, new…

This article reveals the future prospects of quantum algorithms in high energy physics (HEP). Particle identification, knowing their properties and characteristics is a challenging problem in experimental HEP. The key technique to solve…

Quantum Physics · Physics 2020-11-24 Kapil K. Sharma

The road map to the FCC Feasibility Study Report, for submission to the next Update of the European Strategy for Particle Physics, will require detailed simulation and advanced reconstruction algorithms to explore and maximise the physics…

High Energy Physics - Experiment · Physics 2021-11-19 Gerardo Ganis , Clément Helsens , Valentin Völkl

In order to understand the physics phenomea on the fundamental aspects, the software simulations are a good exercise to succed in this way. Some work of heat transport and molecular physics laboratory are studied in a comparative mode…

Physics Education · Physics 2007-05-23 Gabriel Murariu , Dorina Toma

Common and community software packages, such as ROOT, Geant4 and event generators have been a key part of the LHC's success so far and continued development and optimisation will be critical in the future. The challenges are driven by an…

Computational Physics · Physics 2020-09-01 HEP Software Foundation , : , Thea Aarrestad , Simone Amoroso , Markus Julian Atkinson , Joshua Bendavid , Tommaso Boccali , Andrea Bocci , Andy Buckley , Matteo Cacciari , Paolo Calafiura , Philippe Canal , Federico Carminati , Taylor Childers , Vitaliano Ciulli , Gloria Corti , Davide Costanzo , Justin Gage Dezoort , Caterina Doglioni , Javier Mauricio Duarte , Agnieszka Dziurda , Peter Elmer , Markus Elsing , V. Daniel Elvira , Giulio Eulisse , Javier Fernandez Menendez , Conor Fitzpatrick , Rikkert Frederix , Stefano Frixione , Krzysztof L Genser , Andrei Gheata , Francesco Giuli , Vladimir V. Gligorov , Hadrien Benjamin Grasland , Heather Gray , Lindsey Gray , Alexander Grohsjean , Christian Gütschow , Stephan Hageboeck , Philip Coleman Harris , Benedikt Hegner , Lukas Heinrich , Burt Holzman , Walter Hopkins , Shih-Chieh Hsu , Stefan Höche , Philip James Ilten , Vladimir Ivantchenko , Chris Jones , Michel Jouvin , Teng Jian Khoo , Ivan Kisel , Kyle Knoepfel , Dmitri Konstantinov , Attila Krasznahorkay , Frank Krauss , Benjamin Edward Krikler , David Lange , Paul Laycock , Qiang Li , Kilian Lieret , Miaoyuan Liu , Vladimir Loncar , Leif Lönnblad , Fabio Maltoni , Michelangelo Mangano , Zachary Louis Marshall , Pere Mato , Olivier Mattelaer , Joshua Angus McFayden , Samuel Meehan , Alaettin Serhan Mete , Ben Morgan , Stephen Mrenna , Servesh Muralidharan , Ben Nachman , Mark S. Neubauer , Tobias Neumann , Jennifer Ngadiuba , Isobel Ojalvo , Kevin Pedro , Maurizio Perini , Danilo Piparo , Jim Pivarski , Simon Plätzer , Witold Pokorski , Adrian Alan Pol , Stefan Prestel , Alberto Ribon , Martin Ritter , Andrea Rizzi , Eduardo Rodrigues , Stefan Roiser , Holger Schulz , Markus Schulz , Marek Schönherr , Elizabeth Sexton-Kennedy , Frank Siegert , Andrzej Siódmok , Graeme A Stewart , Malik Sudhir , Sioni Paris Summers , Savannah Jennifer Thais , Nhan Viet Tran , Andrea Valassi , Marc Verderi , Dorothea Vom Bruch , Gordon T. Watts , Torre Wenaus , Efe Yazgan

Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…

Machine Learning · Computer Science 2021-08-19 Karl Otness , Arvi Gjoka , Joan Bruna , Daniele Panozzo , Benjamin Peherstorfer , Teseo Schneider , Denis Zorin

Modern high-energy physics (HEP) enterprises, such as the Belle II experiment at the KEK laboratory in Japan, create huge amounts of data. Sophisticated algorithms for simulation, reconstruction, visualization, and analysis are required to…

Computational Physics · Physics 2018-12-19 T. Kuhr , C. Pulvermacher , M. Ritter , T. Hauth , N. Braun

Experimental Particle Physics has been at the forefront of analyzing the worlds largest datasets for decades. The HEP community was the first to develop suitable software and computing tools for this task. In recent times, new toolkits and…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-11-23 Oliver Gutsche , Matteo Cremonesi , Peter Elmer , Bo Jayatilaka , Jim Kowalkowski , Jim Pivarski , Saba Sehrish , Cristina Mantilla Surez , Alexey Svyatkovskiy , Nhan Tran

In this work the use of the Rational Unified Process (RUP) to model the design of a Detector Control System (DCS) in a High-Energy Physics (HEP) experiment is proposed. We include a brief description of the wide diversity of elements and…

Instrumentation and Detectors · Physics 2019-10-11 J. C. Cabanillas-Noris , Ildefonso Leon-Monzon , Mario-Ivan Martinez-Hernandez , Solangel Rojas-Torres

The next generation of particle physics experiments will face a new era of challenges in data acquisition, due to unprecedented data rates and volumes along with extreme environments and operational constraints. Harnessing this data for…

Instrumentation and Detectors · Physics 2026-03-12 Julia Gonski , Jenni Ott , Shiva Abbaszadeh , Sagar Addepalli , Matteo Cremonesi , Jennet Dickinson , Giuseppe Di Guglielmo , Erdem Yigit Ertorer , Lindsey Gray , Ryan Herbst , Christian Herwig , Tae Min Hong , Benedikt Maier , Maryam Bayat Makou , David Miller , Mark S. Neubauer , Cristián Peña , Dylan Rankin , Seon-Hee , Seo , Giordon Stark , Alexander Tapper , Audrey Corbeil Therrien , Ioannis Xiotidis , Keisuke Yoshihara , G Abarajithan , Sagar Addepalli , Nural Akchurin , Carlos Argüelles , Saptaparna Bhattacharya , Lorenzo Borella , Christian Boutan , Tom Braine , James Brau , Martin Breidenbach , Antonio Chahine , Talal Ahmed Chowdhury , Yuan-Tang Chou , Seokju Chung , Alberto Coppi , Mariarosaria D'Alfonso , Abhilasha Dave , Chance Desmet , Angela Di Fulvio , Karri DiPetrillo , Javier Duarte , Auralee Edelen , Jan Eysermans , Yongbin Feng , Emmett Forrestel , Dolores Garcia , Loredana Gastaldo , Julián García Pardiñas , Lino Gerlach , Loukas Gouskos , Katya Govorkova , Carl Grace , Christopher Grant , Philip Harris , Ciaran Hasnip , Timon Heim , Abraham Holtermann , Tae Min Hong , Gian Michele Innocenti , Koji Ishidoshiro , Miaochen Jin , Jyothisraj Johnson , Stephen Jones , Andreas Jung , Georgia Karagiorgi , Ryan Kastner , Nicholas Kamp , Doojin Kim , Kyoungchul Kong , Katie Kudela , Jelena Lalic , Bo-Cheng Lai , Yun-Tsung Lai , Tommy Lam , Jeffrey Lazar , Aobo Li , Zepeng Li , Haoyun Liu , Vladimir Lončar , Luca Macchiarulo , Christopher Madrid , Benedikt Maier , Zhenghua Ma , Prashansa Mukim , Mark S. Neubauer , Victoria Nguyen , Sungbin Oh , Isobel Ojalvo , Hideyoshi Ozaki , Simone Pagan Griso , Myeonghun Park , Christoph Paus , Santosh Parajuli , Benjamin Parpillon , Sara Pozzi , Ema Puljak , Benjamin Ramhorst , Amy Roberts , Larry Ruckman , Kate Scholberg , Sebastian Schmitt , Noah Singer , Eluned Anne Smith , Alexandre Sousa , Michael Spannowsky , Sioni Summers , Yanwen Sun , Daniel Tapia Takaki , Antonino Tumeo , Caterina Vernieri , Belina von Krosigk , Yash Vora , Linyan Wan , Michael H. L. S. Wang , Amanda Weinstein , Andy White , Simon Williams , Felix Yu

Data preservation is a mandatory specification for any present and future experimental facility and it is a cost-effective way of doing fundamental research by exploiting unique data sets in the light of the continuously increasing…

Biophysics is a subject that is spread over many disciplines and transcends the skills and knowledge of the individual student. This makes it challenging both to teach and to learn. Educational materials are described to aid in teaching…

Physics Education · Physics 2015-06-15 J. M. Deutsch

Particle-Mesh (PM) codes are still very useful tools for testing predictions of cosmological models in cases when extra high resolution is not very important. We release for public use a cosmological PM N-body code. We provide a complete…

Astrophysics · Physics 2007-05-23 Anatoly Klypin , Jon Holtzman