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Results: 12

#	Item
1	CP2K New Frontiers in ab initio Molecular Dynamics Jürg Hutter, Joost VandeVondele, Valery Weber Add to Reading List Source URL: www.hp2c.ch Language: English - Date: 2011-08-18 10:51:27
2	View Online PCCP Dynamic Article Links Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 05:34:56 Science Theoretical chemistry Nanowire Introduction to quantum mechanics Quantum mechanics QM/MM CP2K Chemistry Physics Computational chemistry
3	Car-Parrinello Investigation of Acid/Base and Electronic Properties of Oxide-Water Interfaces Michiel Sprik Department of Chemistry University of Cambridge Add to Reading List Source URL: www.ccp2010.no Language: English - Date: 2010-06-08 05:25:38 Colloidal chemistry Condensed matter physics Electric charge Surface charge CP2K Surface science Work function Double layer Proton Physics Chemistry Matter
4	View Online PCCP Dynamic Article Links Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 05:34:56 Science Theoretical chemistry Nanowire Introduction to quantum mechanics Quantum mechanics QM/MM CP2K Chemistry Physics Computational chemistry
5	University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch Add to Reading List Source URL: www.zora.uzh.ch Language: English - Date: 2010-11-29 09:01:50 Theoretical chemistry Density functional theory Molecular modelling Quantum chemistry Molecular dynamics CP2K Ab initio quantum chemistry methods Force field Michele Parrinello Chemistry Science Computational chemistry
6	University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch Add to Reading List Source URL: www.zora.uzh.ch Language: English - Date: 2010-11-29 09:01:51 Molecular modelling Computational chemistry Theoretical chemistry CP2K Molecular dynamics Car–Parrinello method Force field Michele Parrinello Ab initio quantum chemistry methods Chemistry Science Density functional theory
7	Published on Web[removed]Density Oscillations in a Nanoscale Water Film on Salt: Insight from Ab Initio Molecular Dynamics Limin Liu,,†,‡ Matthias Krack,§,¶ and Angelos Michaelides,†,‡ Materials Simulatio Add to Reading List Source URL: www.chem.ucl.ac.uk Language: English - Date: 2009-10-01 02:56:52 Oxides Physical chemistry Surface chemistry Properties of water Crystal Dissolution Solution CP2K Ultra-high vacuum Chemistry Colloidal chemistry Inorganic solvents
8	VandeVondele_20141117.indd Add to Reading List Source URL: www.map.ethz.ch Language: English - Date: 2014-11-17 04:50:18 CP2K Density functional theory Emerging technologies Software Molecular dynamics Simulation Nanomaterials Chemistry Science Computational chemistry
9	Research Networking Programme Advanced Concepts in ab-initio Simulations of Materials (Psi-k2) Standing Committee for Physical and Engineering Sciences (PESC) Add to Reading List Source URL: www.esf.org Language: English - Date: 2012-02-08 05:18:35 Science SIESTA Electronic band structure Hybrid functional Ab initio Molecular dynamics CP2K CONQUEST PSI Density functional theory Physics Chemistry
10	In conjunction with ESF RNP “Advanced Concepts in ab-initio Simulations of Materials” 07 – 11 February, Jülich, Germany “Muffin-Tin Recipes - Hands-on Workshop on Electronic Structure Calculations with the FLEUR Add to Reading List Source URL: www.psi-k.org Language: English - Date: 2013-07-08 20:01:28 Physics CP2K ABINIT Centre européen de calcul atomique et moléculaire Ambient intelligence Molecular dynamics PSI Science Density functional theory Chemistry

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