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1

A massively parallel multireference configuration interaction program: The parallel COLUMBUS program

Dachsel, Holger, Lischka, Hans, Shepard, Ron, Nieplocha, Jaroslaw, Harrison, Robert J.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 283 KB

english, 1997

2

A CUDA fast multipole method with highly efficient M2L far field evaluation

Kohnke, Bartosz, Kutzner, Carsten, Beckmann, Andreas, Lube, Gert, Kabadshow, Ivo, Dachsel, Holger, GrubmÃ¼ller, Helmut

Journal:

International Journal of High Performance Computing Applications

Year:

2020

File:

PDF, 2.83 MB

2020

3

On the computation of stationary points on potential energy hypersurfaces

Wolfgang Kliesch, Klaus Schenk, Dietmar Heidrich, Holger Dachsel

Journal:

Journal of Computational Chemistry

Year:

1988

Language:

english

File:

PDF, 740 KB

english, 1988

4

Parallel computing in quantum chemistry — Message passing and beyond for a general ab initio program system

Hans Lischka, Holger Dachsel, Ron Shepard, Robert J. Harrison

Journal:

Future Generation Computer Systems

Year:

1995

Language:

english

File:

PDF, 529 KB

english, 1995

5

A systematic ab initio investigation of the open and ring structures of ozone

Thomas Müller, Sotiris S. Xantheas, Holger Dachsel, Robert J. Harrison, Jaroslaw Nieplocha, Ron Shepard, Gary S. Kedziora, Hans Lischka

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 99 KB

english, 1998

6

An analytical computation of Christoffel symbols for reaction coordinate and trajectory treatments under internal coordinates

Holger Dachsel, Wolfgang Quapp

Journal:

Journal of Mathematical Chemistry

Year:

1991

Language:

english

File:

PDF, 702 KB

english, 1991

7

Implementing noncollective parallel I/O in cluster environments using Active Message communication

Jarek Nieplocha, Holger Dachsel, Ian Foster

Journal:

Cluster Computing

Year:

1999

Language:

english

File:

PDF, 220 KB

english, 1999

8

Multireference Configuration Interaction Calculations on Cr 2 : Passing the One Billion Limit in MRCI/MRACPF Calculations

Dachsel, Holger, Harrison, Robert J., Dixon, David A.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 37 KB

english, 1999

9

An efficient data compression method for the Davidson subspace diagonalization scheme

Dachsel, Holger, Lischka, Hans

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1995

Language:

english

File:

PDF, 621 KB

english, 1995

10

Comparison of scalable fast methods for long-range interactions

Arnold, Axel, Fahrenberger, Florian, Holm, Christian, Lenz, Olaf, Bolten, Matthias, Dachsel, Holger, Halver, Rene, Kabadshow, Ivo, Gähler, Franz, Heber, Frederik, Iseringhausen, Julian, Hofmann, Micha

Journal:

Physical Review E

Year:

2013

Language:

english

File:

PDF, 2.26 MB

english, 2013

11

[IEEE 2012 IEEE 14th Int'l Conf. on High Performance Computing and Communication (HPCC) & 2012 IEEE 9th Int'l Conf. on Embedded Software and Systems (ICESS) - Liverpool, United Kingdom (2012.06.25-2012.06.27)] 2012 IEEE 14th International Conference on High Performance Computing and Communication & 2012 IEEE 9th International Conference on Embedded Software and Systems - Automatic Tuning of the Fast Multipole Method Based on Integrated Performance Prediction

Dachsel, Holger, Hofmann, Michael, Lang, Jens, Runger, Gudula

Year:

2012

Language:

english

File:

PDF, 186 KB

english, 2012

12

An error-controlled fast multipole method

Dachsel, Holger

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 886 KB

english, 2009

13

Fast and accurate determination of the Wigner rotation matrices in the fast multipole method

Dachsel, Holger

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 308 KB

english, 2006

14

Corrected Article: “An error-controlled fast multipole method” [J. Chem. Phys. 131, 244102 (2009)]

Dachsel, Holger

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 897 KB

english, 2010

15

[ACM Press the 2011 companion - Seattle, Washington, USA (2011.11.12-2011.11.18)] Proceedings of the 2011 companion on High Performance Computing Networking, Storage and Analysis Companion - SC '11 Companion - Poster

Kabadshow, Ivo, Dachsel, Holger, Hammond, Jeff

Year:

2011

Language:

english

File:

PDF, 492 KB

english, 2011

16

A Flexible, GPU - Powered Fast Multipole Method for Realistic Biomolecular Simulations in Gromacs

Kohnke, Bartosz, Ullmann, R. Thomas, Kutzner, Carsten, Beckmann, Andreas, Haensel, David, Kabadshow, Ivo, Dachsel, Holger, Hess, Berk, Grubmüller, Helmut

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 42 KB

english, 2017

17

Gromex: Electrostatics with Chemical Variability for Realistic Molecular Simulations on the Exascale

Ullmann, R. Thomas, Kutzner, Carsten, Beckmann, Andreas, Kohnke, Bartosz, Haensel, David, Kabadshow, Ivo, Dachsel, Holger, Hess, Berk, Grubmüller, Helmut

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 65 KB

english, 2017