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Entries: 1-4  
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Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions
Authors: Schmidt, J.; VandeVondele, J.; Kuo, I. F. W.; Sebastiani, Daniel; Siepmann, J. I.; Hutter, J.; Mundy, C. J.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of Physical Chemistry B
Volume: 113
Issue / Number: 35
Start Page: 11959
End Page: 11964
Document Type: Article
ID: 435872.0
General and efficient algorithms for obtaining maximally localized Wannier functions
Authors: Berghold, G.; Mundy, C. J.; Romero, A. H.; Hutter, J.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Physical Review B
Volume: 61
Start Page: 10040
End Page: 10048
Document Type: Article
ID: 181331.0
Microsolvation and chemical reactivity of sodium and water clusters
Authors: Mundy, C. J.; Hutter, J.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Journal of the American Chemical Society
Volume: 122
Start Page: 4837
End Page: 4838
Document Type: Article
ID: 181689.0
Nonequilibrium molecular dynamics
Authors: Mundy, C. J.; Balasubramanian, S.; Bagchi, K.; Tuckerman, M. E.; Martyna, G. J.; Klein, M. L.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Reviews in Computational Chemistry
Volume: 14
Start Page: 291
End Page: 397
Document Type: Article
ID: 181688.0
Entries: 1-4  
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