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Publikováno v:
Physical Chemistry Chemical Physics. 17:31542-31549
Real space pseudopotentials have a number of advantages in solving for the electronic structure of materials. These advantages include ease of implementation, implementation on highly parallel systems, and great flexibility for describing partially p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4e70afa55e16c7420fd0557b680eab0
https://doi.org/10.1039/c5cp02561c
https://doi.org/10.1039/c5cp02561c
Autor:
Theresa Windus, Michael Banda, Thomas Devereaux, Julia C. White, Katie Antypas, Richard Coffey, Eli Dart, Sudip Dosanjh, Richard Gerber, James Hack, Inder Monga, Michael E. Papka, Katherine Riley, Lauren Rotman, Tjerk Straatsma, Jack Wells, Tunna Baruah, Anouar Benali, Michael Borland, Jiri Brabec, Emily Carter, David Ceperley, Maria Chan, James Chelikowsky, Jackie Chen, Hai-Ping Cheng, Aurora Clark, Pierre Darancet, Wibe DeJong, Jack Deslippe, David Dixon, Jeffrey Donatelli, Thomas Dunning, Marivi Fernandez-Serra, James Freericks, Laura Gagliardi, Giulia Galli, Bruce Garrett, Vassiliki-Alexandra Glezakou, Mark Gordon, Niri Govind, Stephen Gray, Emanuel Gull, Francois Gygi, Alexander Hexemer, Christine Isborn, Mark Jarrell, Rajiv K. Kalia, Paul Kent, Stephen Klippenstein, Karol Kowalski, Hulikal Krishnamurthy, Dinesh Kumar, Charles Lena, Xiaosong Li, Thomas Maier, Thomas Markland, Ian McNulty, Andrew Millis, Chris Mundy, Aiichiro Nakano, A.M.N. Niklasson, Thanos Panagiotopoulos, Ron Pandolfi, Dula Parkinson, John Pask, Amedeo Perazzo, John Rehr, Roger Rousseau, Subramanian Sankaranarayanan, Greg Schenter, Annabella Selloni, Jamie Sethian, Ilja Siepmann, Lyudmila Slipchenko, Michael Sternberg, Mark Stevens, Michael Summers, Bobby Sumpter, Peter Sushko, Jana Thayer, Brian Toby, Craig Tull, Edward Valeev, Priya Vashishta, V. Venkatakrishnan, C. Yang, Ping Yang, Peter H. Zwart
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::40b6e1faaaa4777aa67909b3acdbc7be
https://doi.org/10.2172/1341721
https://doi.org/10.2172/1341721
Publikováno v:
Physical Review B. 86
Theoretical calculations with real-space pseudopotentials constructed within density-functional theory are employed to calculate mechanical and electronic properties for [100], [110], and [111] germanium nanowires up to 2.7 nm in diameter. Uniaxial s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::763ce6301cbf17f98bcb723b08ad01db
https://doi.org/10.1103/physrevb.86.115331
https://doi.org/10.1103/physrevb.86.115331
Publikováno v:
Interaction Design and Architecture(s), Iss 38, Pp 140-154 (2018)
In this paper, we discuss the tension between the ethical perspectives of Justice and Care for technology design research. We first introduce the ideal project of universal accessibility bared upon standards and rules that leave broadly open the comp
Externí odkaz:
https://doaj.org/article/7ebb105ce17d4ae6ad4a272383450b92
Publikováno v:
Interfaces Numériques, Vol 7, Iss 1 (2018)
L’ambition des technologies dites de « téléprésence » étant d’assurer une interaction à distance en « temps réel », la gestion des délais temporels constitue un enjeu de premier plan. Afin d’évaluer leur impact sur l’expérience d
Externí odkaz:
https://doaj.org/article/ac3d377513634450af31540b913c0891
Publikováno v:
Frontiers in Psychology, Vol 7 (2016)
The minimalist perceptual crossing paradigm has emphasized the essential role of interpersonal dynamics on social understanding. Within the particular case of minimalist interaction, it has been argued that interpersonal processes can constitute soci
Externí odkaz:
https://doaj.org/article/2e3303de40d64ee497373a4795b88b84