Ab Initio Molecular Dynamics
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Published By Cambridge University Press

9780511609633
Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Computing properties

2010 ◽  
pp. 309-349
Author(s):  
Dominik Marx ◽  
Jurg Hutter

From materials to biomolecules

2010 ◽  
pp. 371-406
Author(s):  
Dominik Marx ◽  
Jurg Hutter

Implementation: using the plane wave basis set

2010 ◽  
pp. 85-135
Author(s):  
Dominik Marx ◽  
Jurg Hutter
Keyword(s):  
Plane Wave ◽  
Basis Set

Beyond norm-conserving pseudopotentials

2010 ◽  
pp. 286-308
Author(s):  
Dominik Marx ◽  
Jurg Hutter

Bibliography

2010 ◽  
pp. 419-549
Author(s):  
Dominik Marx ◽  
Jurg Hutter

Properties from ab initio simulations

2010 ◽  
pp. 407-415
Author(s):  
Dominik Marx ◽  
Jurg Hutter
Keyword(s):  
Ab Initio ◽  
Ab Initio Simulations

Parallel computing

2010 ◽  
pp. 350-368
Author(s):  
Dominik Marx ◽  
Jurg Hutter
Keyword(s):  
Parallel Computing

Atoms with plane waves: accurate pseudopotentials

2010 ◽  
pp. 136-174
Author(s):  
Dominik Marx ◽  
Jurg Hutter
Keyword(s):  
Plane Waves

Outlook

2010 ◽  
pp. 416-418
Author(s):  
Dominik Marx ◽  
Jurg Hutter
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