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The eMinerals project: developing the concept of the virtual organisation to support collaborative work on molecular-scale environmental simulations

, , , , , , , , , , , , , , , , , , , , , , , , , , and . Proceedings of the UK e-Science All Hands Meeting 2005, page 426-432. Nottingham, UK, (2005)

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eScience usability: the eMinerals experience, , , , , , , , , and 18 other author(s). Proceedings of the UK e-Science All Hands Meeting 2005, page 426-432. Nottingham, UK, (2005)First-principles modelling of Earth and planetary materials at high pressures and temperatures, , , , and . Reports of Progress in Physics, (August 2006)Collaborative grid infrastructure for molecular simulations: The eMinerals minigrid as a prototype integrated compute and data grid, , , , , , , , , and 4 other author(s). Molecular Simulation, 31 (5): 303--313 (2005)The eMinerals project: developing the concept of the virtual organisation to support collaborative work on molecular-scale environmental simulations, , , , , , , , , and 17 other author(s). Proceedings of the UK e-Science All Hands Meeting 2005, page 426-432. Nottingham, UK, (2005)Ab initio simulation of ammonia monohydrate (NH3 center dot H2O) and ammonium hydroxide (NH4OH), , , , and . JOURNAL OF Chemical PHYSICS, 115 (15): 7006--7014 (2001)The structure, ordering and equation of state of ammonia dihydrate (NH3 center dot 2H(2)O), , , and . Icarus, 162 (1): 59--73 (2003)Hydrogen bonding in solid ammonia from ab initio calculations, , , and . JOURNAL OF Chemical PHYSICS, 118 (13): 5987--5994 (2003)