QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials [PDF]
Journal of Physics: Condensed Matter, 2009 QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).
P. Giannozzi +32 more
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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Journal of Chemical Physics, 2021 This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015.
E. Epifanovsky +219 more
semanticscholar +1 more source
Exploratory analysis of PM2.5 variation trend of Tehran, Iran, in various time series and its relation with cardiovascular mortality rate using R software [PDF]
Journal of Advances in Environmental Health Research, 2015 Among the numerous air pollutants, the strongest proof for adverse health effects has been reported for particulate matter (PM). The aim of this study was the exploration of short-term associations of air pollution with mortalities due to cardiovascular ...
Payman Kaseb +3 more
doaj +1 more source
ArchR is a scalable software package for integrative single-cell chromatin accessibility analysis
Nature Genetics, 2021 The advent of single-cell chromatin accessibility profiling has accelerated the ability to map gene regulatory landscapes but has outpaced the development of scalable software to rapidly extract biological meaning from these data.
Jeffrey M. Granja +7 more
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Implementation of fatigue model for unidirectional laminate based on finite element analysis: theory and practice [PDF]
Fracture and Structural Integrity, 2016 The aim of this study is to deal with the simulation of intralaminar fatigue damage in unidirectional composite under multi-axial and variable amplitude loadings.
D. Carrella-Payan +8 more
doaj +1 more source
Collaborative Software Development Using R-Forge [PDF]
The R Journal, 2009 Open source software (OSS) is typically created in a decentralized self-organizing process by a community of developers having the same or similar interests. A key factor for the success of OSS over the last two decades is the internet: Developers who rarely meet face-to-face can employ new means of communication, both for rapidly writing and deploying
Theußl, Stefan, Zeileis, Achim
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R Engine Cell: integrating R into the i2b2 software infrastructure [PDF]
Journal of the American Medical Informatics Association, 2011 Informatics for Integrating Biology and the Bedside (i2b2) is an initiative funded by the NIH that aims at building an informatics infrastructure to support biomedical research. The University of Pavia has recently integrated i2b2 infrastructure with a registry of inherited arrhythmogenic diseases.
Segagni D +6 more
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Neuroconductor: an R platform for medical imaging analysis [PDF]
, 2019 Neuroconductor (https://neuroconductor.org) is an open-source platform for rapid testing and dissemination of reproducible computational imaging software.
Avants, B. +15 more
core +1 more source
Bioinform., 2012 Summary: The two main functions of bioinformatics are the organization and analysis of biological data using computational resources. Geneious Basic has been designed to be an easy-to-use and flexible desktop software application framework for the ...
Matthew D. Kearse +13 more
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Model-driven Development of Complex Software: A Research Roadmap [PDF]
Future of Software Engineering (FOSE '07), 2007 The term model-driven engineering (MDE) is typically used to describe software development approaches in which abstract models of software systems are created and systematically transformed to concrete implementations.
R. France, Bernhard Rumpe
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