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Rolf Isele-Holder

Research topic: Structure and Dynamics of Liquid-Liquid and Liquid-Solid Interfaces







Contact

Dipl.-Ing. Rolf Isele-Holder
Aachen Institute for Advanced Study in Computational Engineering Science (AICES)
RWTH Aachen University
Room 424
Schinkelstrasse 2
52056 Aachen
Germany

Phone: +49 (0)241 80 99 136
Fax: +49 (0)241 80 628 498
Email: isele (AT) aices (DOT) rwth-aachen (DOT) de

Education

since 10/2011 Graduate studies in Molecular Simulation, Aachen Institute for Advanced Study in Computational Engineering Science, RWTH Aachen, Germany
 10/2006 - 09/2011 Diplom in Mechanical Engineering, RWTH Aachen University, Germany


Professional Career

04/2009 - 02/2010 Research  Assistant,  Chair for Technical Thermodynamics, RWTH Aachen, Germany
10/2007 - 07/2008 Teaching Assistant, IEM, RWTH Aachen University, Germany

Publications


Journal articles

  • Isele-Holder, R.E., Mitchell, W., Hammond, J.R., Kohlmeyer, A., Ismail, A.E.: Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation. Journal of Chemical Theory and Computation, 2013, 9 (12), 5412
  • Isele-Holder, R.E., Mitchell, W., Ismail, A.E.: Development and Application of a particle-particle particle-mesh Ewald method for dispersion interactions. Journal of Chemical Physics, 2012, 137 (17), 174107
  • Isele-Holder, R.E., Rabideau, B.D., Ismail, A.E.: Definition and Computation of Intermolecular Contact in Liquids Using Additively Weighted Voronoi Tessellation. Journal of Physical Chemistry A, 2012, 116 (18), pp. 4657-4666

Conference presentations

  • Isele-Holder, R.E., Ismail, A.E.: Spreading and Superspreading of Droplets of Trisiloxane Surfactants and Their Aqueous Solutions on Soft Substrates. MRS Fall Meeting, December 2, 2013, Boston, USA.
  • Isele-Holder, R.E., Mitchell, W., Hammond, J.R., Ismail, A.E.: Reconsidering Dispersion Potentials: Using Reduced Cutoffs in Mesh-Based Ewald Solvers Can Eliminate the Performance Gap Versus Truncation. AIChE annual meeting, November 8, 2013, San Francisco, USA.
  • Isele-Holder, R.E., Key, F., Mitchell, W., Ismail, A.E.: Efficient calculation of long-range dispersion interactions using a PPPM Ewald method. International Workshop Molecular Modeling and Simulations: Natural Science meets Engineering, March 12, 2013, Frankfurt, Germany.
  • Isele-Holder, R.E., Ismail, A.E.: Molecular Simulation of Trisiloxane Surfactants at the Air/Water Interface. AIChE annual meeting, October 31, 2012, Pittsburgh, USA.
  • Isele-Holder, R.E., Ismail, A.E.: Building a Better Pppm: Incorporating Long-Range Dispersion Interactions. AIChE annual meeting, October 29, 2012, Pittsburgh, USA.
  • Yamin, P., Schwarz, A., Leonhard, K., Isele-Holder, R.E., Ismail, A.E.: Application and Development of the COSMO-RS Model in the TMBF Cluster. 5.) TMFB international workshop, June 13, 2012, Aachen, Germany.
  • Isele-Holder, R.E., Rabideau, B.D., Ismail, A.E.: Linking the COSMO-RS Model to Molecular Dynamics Simulations. AIChE annual meeting, October 17, 2011, Minneapolis, USA.

Posters

  • Isele-Holder, R.E., Ismail, A.E.: Molecular Dynamics Simulations of Superspreaders. AIChE annual meeting, November 4, 2013, San Francisco, USA.
  • Isele-Holder, R.E., Ismail, A.E.: Molecular Dynamics Simulations of Superspreaders. International Soft Matter Conference, September 19, 2013, Rome, Italy.
  • Isele-Holder, R.E., Ismail, A.E.: Development and application of a PPPM method for long-range dispersion interactions. ESAT, October 7-10, 2012, Potsdam, Germany.
  • Isele-Holder, R.E., Rabideau, B.D., Ismail, A.E.: Examination of COSMO-RS approximations with intermolecular surface contact statistics from MD simulations. Thermodynamik Kolloquium, October 8-10, 2012, Potsdam, Germany.
  • Isele-Holder, R.E., Ismail, A.E.: Implementation and optimization of a PPPM method for long-range dispersion interactions. FOMMS, July 22-26, 2012, Welches, USA.
  • Yamin, P., Isele-Holder, R.E., Leonhard, K.: On the choice of an Efficient Conformational Search Strategy in the Context of COSMO-RS Model. Thermodynamik Kolloquium, October 4-6, 2010, Bayreuth, Germany.