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Results of search for 'au:"Schwörer, Magnus"'
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Authors
Bauer, Sebastian
Breitenfeld, Benedikt
Gawehn, Erik
Lorenzen, Konstantin
Mates, Simon
Mathias, Gerald
Schwörer, Magnus
Tavan, Paul
Tröster, Philipp
Wichmann, Christoph
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Alanine
Computer Simulation
Dipeptides
Models, Theoretical
Molecular Dynamics Simulation
Quantum Theory
Temperature
Water
chemistry
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English
Your search returned 6 results.
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1.
A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water.
[electronic resource]
by
Schwörer, Magnus
Wichmann, Christoph
Tavan, Paul
Producer:
20160811
In:
The Journal of chemical physics
vol. 144
Online resources:
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2.
Simulated Solute Tempering in Fully Polarizable Hybrid QM/MM Molecular Dynamics Simulations.
[electronic resource]
by
Schwörer, Magnus
Wichmann, Christoph
Gawehn, Erik
Mathias, Gerald
Producer:
20161114
In:
Journal of chemical theory and computation
vol. 12
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3.
Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations.
[electronic resource]
by
Schwörer, Magnus
Lorenzen, Konstantin
Mathias, Gerald
Tavan, Paul
Producer:
20150810
In:
The Journal of chemical physics
vol. 142
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4.
Polarizable water models from mixed computational and empirical optimization.
[electronic resource]
by
Tröster, Philipp
Lorenzen, Konstantin
Schwörer, Magnus
Tavan, Paul
Producer:
20140404
In:
The journal of physical chemistry. B
vol. 117
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5.
Optimizing the Accuracy and Efficiency of Fast Hierarchical Multipole Expansions for MD Simulations.
[electronic resource]
by
Lorenzen, Konstantin
Schwörer, Magnus
Tröster, Philipp
Mates, Simon
Tavan, Paul
Producer:
20151124
In:
Journal of chemical theory and computation
vol. 8
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6.
Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations.
[electronic resource]
by
Schwörer, Magnus
Breitenfeld, Benedikt
Tröster, Philipp
Bauer, Sebastian
Lorenzen, Konstantin
Tavan, Paul
Mathias, Gerald
Producer:
20140207
In:
The Journal of chemical physics
vol. 138
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