Bernd Hartke - researchr alias

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Viewing Publication 1 - 9 from 9

2022

Graph-based Automated Macro-Molecule AssemblyFlorian Spenke, Bernd Hartke. jcisd, 62(16):3714-3723, 2022. [doi]

2019

Exploring self-organization of molecular tether molecules on a gold surface by global structure optimizationAntonia Freibert, Johannes M. Dieterich, Bernd Hartke. jcc, 40(22):1978-1989, 2019. [doi]

2018

Simulations of optically switchable molecular machines for particle transportTim Raeker, Björn Jansen, Dominik Behrens, Bernd Hartke. jcc, 39(20):1433-1443, 2018. [doi]

2015

Efficient global optimization of reactive force-field parametersMark Dittner, Julian Müller, Hasan Metin Aktulga, Bernd Hartke. jcc, 36(20):1550-1561, 2015. [doi]

2014

A graph-based short-cut to low-energy structuresJohannes M. Dieterich, Bernd Hartke. jcc, 35(22):1618-1620, 2014. [doi]

2013

Global optimization of parameters in the reactive force field ReaxFF for SiOHHenrik R. Larsson, Adri C. T. van Duin, Bernd Hartke. jcc, 34(25):2178-2189, 2013. [doi]

2011

Composition-induced structural transitions in mixed Lennard-Jones clusters: Global reparametrization and optimizationJohannes M. Dieterich, Bernd Hartke. jcc, 32(7):1377-1385, 2011. [doi]

2005

Towards protein folding with evolutionary techniquesFlorian Koskowski, Bernd Hartke. jcc, 26(11):1169-1179, 2005. [doi]

1999

Global cluster geometry optimization by a phenotype algorithm with Niches: Location of elusive minima, and low-order scaling with cluster sizeBernd Hartke. jcc, 20(16):1752-1759, 1999. [doi]

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