Alessandro Curioni - researchr alias

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2010

2009

Low cost high performance uncertainty quantificationConstantine Bekas, Alessandro Curioni, I. Fedulova. sc 2009: [doi]

2008

2006

New Scalability Frontiers in ::::Ab Initio:::: Electronic Structure Calculations Using the BG/L SupercomputerConstantine Bekas, Alessandro Curioni, Wanda Andreoni. para 2007: 1026-1035 [doi]

New Scoring Functions for Virtual Screening from Molecular Dynamics Simulations with a Quantum-Refined Force-Field (QRFF-MD). Application to Cyclin-Dependent Kinase 2Philippe Ferrara, Alessandro Curioni, Eric Vangrevelinghe, T. Meyer, Tiziana Mordasini, Wanda Andreoni, Pierre Acklin, Edgar Jacoby. jcisd, 46(1):254-263, 2006. [doi]

2005

HPCx: towards capability computingMike Ashworth, Ian J. Bush, Martyn F. Guest, Andrew G. Sunderland, Stephen Booth, Joachim Hein, Lorna Smith, Kevin Stratford, Alessandro Curioni. concurrency, 17(10):1329-1361, 2005. [doi]

Dual-level parallelism for ab initio molecular dynamics: Reaching teraflop performance with the CPMD codeJürg Hutter, Alessandro Curioni. pc, 31(1):1-17, 2005. [doi]

2001

Blue Gene: A vision for protein science using a petaflop supercomputerFrances E. Allen, George S. Almasi, Wanda Andreoni, Daniel K. Beece, Bruce J. Berne, Arthur A. Bright, José R. Brunheroto, Calin Cascaval, José G. Castaños, Paul Coteus, Paul Crumley, Alessandro Curioni, Monty Denneau, Wilm E. Donath, Maria Eleftheriou, Blake G. Fitch, Bruce M. Fleischer, Christos J. Georgiou, Robert S. Germain, Mark Giampapa, Donna L. Gresh, Manish Gupta, Ruud A. Haring, C. T. Howard Ho, Peter H. Hochschild, Susan Flynn Hummel, Tiziana Jonas, Derek Lieber, Glenn J. Martyna, Kiran K. Maturu, José E. Moreira, Dennis M. Newns, Matthew Newton, Robert Philhower, Thomas Picunko, Jed W. Pitera, Michael Pitman, Rick A. Rand, Ajay K. Royyuru, Valentina Salapura, Alda Sanomiya, Rahul S. Shah, Yuk Yin Sham, Sarabjeet Singh, Marc Snir, Frank Suits, Richard A. Swetz, William C. Swope, Nagesh K. Vishnumurthy, T. J. Christopher Ward, Henry S. Warren Jr., Ruhong Zhou. IBMSJ, 40(2):310-327, 2001. [doi]

DFT-based molecular dynamics as a new tool for computational biology: First applications and perspectiveWanda Andreoni, Alessandro Curioni, Tiziana Mordasini. ibmrd, 45(3):397-408, 2001. [doi]

Computer simulations for organic light-emitting diiodesAlessandro Curioni, Wanda Andreoni. ibmrd, 45(1):101-114, 2001. [doi]

2000

New advances in chemistry and materials science with CPMD and parallel computingWanda Andreoni, Alessandro Curioni. pc, 26(7-8):819-842, 2000.