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Number of items: 12.

Schütt, Ole; Messmer, Peter; Hutter, Jürg; VandeVondele, Joost (2016). GPU-Accelerated Sparse Matrix-Matrix Multiplication for Linear Scaling Density Functional Theory. In: Walker, Ross C; Götz, Andreas W. Electronic Structure Calculations on Graphics Processing Units. Chichester, West Sussex, UK: John Wiley & Sons, Ltd, 173-190.

Del Ben, Mauro; Schütt, Ole; Wentz, Tim; Messmer, Peter; Hutter, Jürg; VandeVondele, Joost (2015). Enabling simulation at the fifth rung of DFT: Large scale RPA calculations with excellent time to solution. Computer Physics Communications, 187:120-129.

Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost (2015). Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach. Journal of Chemical Physics, 143(10):102803.

Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost (2015). Probing the structural and dynamical properties of liquid water with models including non-local electron correlation. Journal of Chemical Physics, 143(5):054506.

Hutter, Juerg; Iannuzzi, Marcella; Schiffmann, Florian; VandeVondele, Joost (2014). CP2K: Atomistic simulations of condensed matter systems. Wiley Interdisciplinary Reviews. Computational Molecular Science, 4(1):15-25.

Schoenherr, Mandes; Slater, Ben; Hutter, Juerg; VandeVondele, Joost (2014). Dielectric properties of water ice, the ice Ih/XI phase transition, and an assessment of density functional theory. Journal of Physical Chemistry B, 118(2):590-596.

Del Ben, Mauro; Schoenherr, Mandes; Hutter, Juerg; VandeVondele, Joost (2013). Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory. Journal of Physical Chemistry Letters, 4(21):3753-3759.

Khaliullin, Rustam Z; VandeVondele, Joost; Hutter, Juerg (2013). Efficient Linear-Scaling Density Functional Theory for Molecular Systems. Journal of Chemical Theory and Computation, 9(10):4421-4427.

Del Ben, Mauro; Hutter, Juerg; VandeVondele, Joost (2013). Electron correlation in the condensed phase from a resolution of identity approach based on the gaussian and plane waves scheme. Journal of Chemical Theory and Computation, 9(6):2654-2671.

Cheng, Jun; Sulpizi, Marialore; VandeVondele, Joost; Sprik, Michiel (2012). Hole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110). ChemCatChem, 4(5):636-640.

VandeVondele, Joost; Troester, Philipp; Tavan, Paul; Mathias, Gerald (2012). Vibrational Spectra of Phosphate Ions in Aqueous Solution Probed by First-Principles Molecular Dynamics. Journal of Physical Chemistry. A, 116(10):2466-2474.

Del Ben, Mauro; Hutter, Juerg; VandeVondele, Joost (2012). Second-order moller-plesset perturbation theory in the condensed phase: an efficient and massively parallel gaussian and plane waves approach. Journal of Chemical Theory and Computation, 8(11):4177-4188.

This list was generated on Mon Dec 11 05:51:04 2017 CET.