Zobrazeno 1 - 10
of 54
pro vyhledávání: '"Hanwell, Marcus D."'
Autor:
Maffettone, Phillip M., Allan, Daniel B., Campbell, Stuart I., Carbone, Matthew R., Caswell, Thomas A., DeCost, Brian L., Gavrilov, Dmitri, Hanwell, Marcus D., Joress, Howie, Lynch, Joshua, Ravel, Bruce, Wilkins, Stuart B., Wlodek, Jakub, Olds, Daniel
Multimodal characterization is commonly required for understanding materials. User facilities possess the infrastructure to perform these measurements, albeit in serial over days to months. In this paper, we describe a unified multimodal measurement
Externí odkaz:
http://arxiv.org/abs/2301.09177
Publikováno v:
In Cell Reports Physical Science 16 November 2022 3(11)
An end-to-end platform for chemical science research has been developed that integrates data from computational and experimental approaches through a modern web-based interface. The platform offers a highly interactive visualization and analytics env
Externí odkaz:
http://arxiv.org/abs/1707.04330
The development of scientific software is often a partnership between domain scientists and scientific software engineers. It is especially important to embrace these collaborations when developing advanced scientific software, where sustainability,
Externí odkaz:
http://arxiv.org/abs/1407.5701
Autor:
Katz, Daniel S., Choi, Sou-Cheng T., Lapp, Hilmar, Maheshwari, Ketan, Löffler, Frank, Turk, Matthew, Hanwell, Marcus D., Wilkins-Diehr, Nancy, Hetherington, James, Howison, James, Swenson, Shel, Allen, Gabrielle D., Elster, Anne C., Berriman, Bruce, Venters, Colin
Challenges related to development, deployment, and maintenance of reusable software for science are becoming a growing concern. Many scientists' research increasingly depends on the quality and availability of software upon which their works are buil
Externí odkaz:
http://arxiv.org/abs/1404.7414
Autor:
Hanwell, Marcus D., Perera, Amitha, Turner, Wes, O'Leary, Patrick, Osterdahl, Katie, Hoffman, Bill, Schroeder, Will
Sustainable software ecosystems are difficult to build, and require concerted effort, community norms and collaborations. In science it is especially important to establish communities in which faculty, staff, students and open-source professionals w
Externí odkaz:
http://arxiv.org/abs/1309.2966
Autor:
Hanwell, Marcus D.1,2 (AUTHOR) mhanwell@bnl.gov, Harris, Chris1 (AUTHOR), Genova, Alessandro1 (AUTHOR), Haghighatlari, Mojtaba3 (AUTHOR), El Khatib, Muammar4 (AUTHOR), Avery, Patrick1 (AUTHOR), Hachmann, Johannes3,5,6 (AUTHOR), Jong, Wibe Albert4 (AUTHOR)
Publikováno v:
International Journal of Quantum Chemistry. 1/5/2021, Vol. 121 Issue 1, p1-20. 20p.
Autor:
Hanwell Marcus D, Curtis Donald E, Lonie David C, Vandermeersch Tim, Zurek Eva, Hutchison Geoffrey R
Publikováno v:
Journal of Cheminformatics, Vol 4, Iss 1, p 17 (2012)
Abstract Background The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible
Externí odkaz:
https://doaj.org/article/05cc040a76e84b2cb441e73bcce03c48
Autor:
Schwartz, Jonathan, Harris, Chris, Pietryga, Jacob, Rowell, Jonathan, Major, Brianna, Avery, Patrick, Ayachit, Utkarsh, Geveci, Berk, Genova, Alessandro, Quammen, Cory, Ercius, Peter, Jiang, Yi, Robinson, Richard, Hanwell, Marcus D., Hovden, Robert
Publikováno v:
Microscopy & Microanalysis; 2022 Supplement, Vol. 28, p3128-3130, 3p