Professor
Publications
Gaussian approximation potentials: The accuracy of quantum mechanics, without the electrons
Phys Rev Lett
(2010)
104
136403
Hybrid Quantum/Classical Modeling of Material Systems: The “Learn on the Fly” Molecular Dynamics Scheme
(2010)
9
1
(doi: 10.1007/978-1-4020-9785-0_1)
Gaussian Approximation Potentials: the accuracy of quantum mechanics, without the electrons
(2009)
(doi: 10.48550/arxiv.0910.1019)
Metapopulation dynamics across gradients - the relation between colonization and extinction in shaping the range edge
Oikos
(2009)
118
1453
Role of electrons in the Fermi surface of the heavy fermion superconductor β-YbAlB4
Phys Rev Lett
(2009)
102
216402
Superionic conductivity in the Li4C60 fulleride polymer.
Physical Review Letters
(2009)
102
145901
Evaluating Boundary Dependent Errors in QM/MM Simulations
J Phys Chem B
(2009)
113
5728
(doi: 10.1021/jp807277r)
Hybrid atomistic simulation methods for materials systems
Reports on Progress in Physics
(2009)
72
026501
The role of f -electrons in the Fermi surface of the heavy fermion superconductor beta-YbAlB4
(2008)
(doi: 10.48550/arxiv.0811.4417)
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