Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Edward Valeev"'
Autor:
Ryan M. Richard, Kristopher Keipert, Jonathan Waldrop, Murat Keçeli, David Williams-Young, Raymond Bair, Jeffery Boschen, Zachery Crandall, Kevin Gasperich, Quazi Ishtiaque Mahmud, Ajay Panyala, Edward Valeev, Hubertus van Dam, Wibe A. de Jong, Theresa L. Windus
Publikováno v:
The Journal of Chemical Physics. 158
For many computational chemistry packages, being able to efficiently and effectively scale across an exascale cluster is a heroic feat. Collective experience from the Department of Energy’s Exascale Computing Project suggests that achieving exascal
Autor:
Deborah A. Penchoff, Edward Valeev, Heike Jagode, Piotr Luszczek, Anthony Danalis, George Bosilca, Robert J. Harrison, Jack Dongarra, Theresa L. Windus
Publikováno v:
Rare Earth Elements and Actinides: Progress in Computational Science Applications ISBN: 9780841298255
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1cd92af54bb9bdadc2c8637217712448
https://doi.org/10.1021/bk-2021-1388.ch001
https://doi.org/10.1021/bk-2021-1388.ch001
Autor:
Deborah A. Penchoff, Theresa L. Windus, Charles C. Peterson, Edward Valeev, Heike Jagode, Piotr Luszczek, Anthony Danalis, George Bosilca, Robert J. Harrison, Jack Dongarra, Ana de Bettencourt-Dias, Charles B. Sims, Kenneth G. W. Inn, Julie G. Ezold, Ashleigh Kimberlin, Paul Benny, J. D. Auxier, Lætitia H. Delmau, James L. E. Burn, Huei Meznarich, Cody A. Nizinski, Cuong Ly, Luther W. McDonald, Tolga Tasdizen, Ashley E. Shields, Jessica L. Bishop, Paul S. Bagus, Connie J. Nelin, Shichao Sun, Torin F. Stetina, Tianyuan Zhang, Xiaosong Li, Manh-Thuong Nguyen, Jun Zhang, David C. Cantu, Roger Rousseau, Vassiliki-Alexandra Glezakou, Nitesh Kumar, Biswajit Sadhu, Aurora E. Clark, Tara Mastren, Jing Su, Enrique R. Batista, Ping Yang, George Schoendorff, David Poole, Federico Zahariev, Michael Del Viscio, Mark S. Gordon, Marilu Perez Garcia, Bo Li, Sheng Dai, De-en Jiang
'Rare earth elements (REEs) and actinides are critical to electronics, communication, military applications, and green energy systems. They also play a large role in nuclear waste challenges with critical national importance. Actinides are still amon
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:
Molecular Physics. 89:1695-1705
In an effort to elucidate the nature of general reactions between carbynes and hydrocarbons, the reactants, products and transition state for the reaction of methylidyne (CH) with methane (CH4) have been characterized using ab-initio quantum-mechanic
Publikováno v:
Physical Chemistry Chemical Physics (PCCP); Jul2005, Vol. 7 Issue 14, p2710-2713, 4p