Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car–Parrinello calculations

✍ Scribed by Varini, Nicola; Ceresoli, Davide; Martin-Samos, Layla; Girotto, Ivan; Cavazzoni, Carlo

• Book ID: 120054188
• Publisher: Elsevier Science
• Year: 2013
• Tongue: English
• Weight: 322 KB
• Volume: 184
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/j.cpc.2013.03.003