Bernd Hartke

12 papers Journal 12

Year	Rank	Type	Title / Venue / Authors
2022	J	`jnl`	Graph-based Automated Macro-Molecule Assembly. J. Chem. Inf. Model. Florian Spenke, Bernd Hartke
2019	J	`jnl`	Exploring self-organization of molecular tether molecules on a gold surface by global structure optimization. J. Comput. Chem. Antonia Freibert, Johannes M. Dieterich, Bernd Hartke
2019	J	`jnl`	Global optimization of parameters in the reactive force field ReaxFF for SiOH. CoRR Henrik R. Larsson, Adri C. T. van Duin, Bernd Hartke
2018	J	`jnl`	Adaptive parallelism with RMI: Idle high-performance computing resources can be completely avoided. CoRR Florian Spenke, Karsten Balzer, Sascha Frick, Bernd Hartke, Johannes M. Dieterich
2018	J	`jnl`	Simulations of optically switchable molecular machines for particle transport. J. Comput. Chem. Tim Raeker, Björn Jansen, Dominik Behrens, Bernd Hartke
2015	J	`jnl`	Efficient global optimization of reactive force-field parameters. J. Comput. Chem. Mark Dittner, Julian Müller, Hasan Metin Aktulga, Bernd Hartke
2014	J	`jnl`	A graph-based short-cut to low-energy structures. J. Comput. Chem. Johannes M. Dieterich, Bernd Hartke
2013	J	`jnl`	Global optimization of parameters in the reactive force field ReaxFF for SiOH. J. Comput. Chem. Henrik R. Larsson, Adri C. T. van Duin, Bernd Hartke
2012	J	`jnl`	Empirical review of standard benchmark functions using evolutionary global optimization CoRR Johannes M. Dieterich, Bernd Hartke
2011	J	`jnl`	Composition-induced structural transitions in mixed Lennard-Jones clusters: Global reparametrization and optimization. J. Comput. Chem. Johannes M. Dieterich, Bernd Hartke
2005	J	`jnl`	Towards protein folding with evolutionary techniques. J. Comput. Chem. Florian Koskowski, Bernd Hartke
1999	J	`jnl`	Global cluster geometry optimization by a phenotype algorithm with Niches: Location of elusive minima, and low-order scaling with cluster size. J. Comput. Chem. Bernd Hartke