Suchergebnisse - "Dachsel, Holger"

PubPharm (20)

1

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

enthalten in: Biophysical journal | 2017

von Kohnke, B. | Ullmann, R. | Kutzner, C. | +6

2

Comparison of scalable fast methods for long-range interactions

enthalten in: Physical review. E, Statistical, nonlinear, and soft matter physics | 2013

von Arnold, A. | Fahrenberger, F. | Holm, C. | +12

3

Corrected article : "An error-controlled fast multipole method" [J. Chem. Phys. 131, 244102 (2009)

enthalten in: The Journal of chemical physics | 2010

von Dachsel, H.

4

Far infrared spectra of solid state aliphatic amino acids in different protonation states

enthalten in: The journal of chemical physics | 2010

von Dachsel, H.

5

An error-controlled fast multipole method

enthalten in: The Journal of chemical physics | 2009

von Dachsel, H.

6

Merging bond-order potentials with charge equilibration

enthalten in: The journal of chemical physics | 2009

von Dachsel, H.

7

Advances in methods and algorithms in a modern quantum chemistry program package

enthalten in: Physical chemistry chemical physics : PCCP | 2006

von Shao, Y. | Molnar, L. | Jung, Y. | +65

8

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

enthalten in: The Journal of chemical physics | 2006

von Dachsel, H.

9

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

enthalten in: The journal of chemical physics | 2006

von Dachsel, H.

10

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY - Multireference Configuration Interaction Calculations on Cr2: Passing the One Billion Limit in MRCI-MRACPF Calculations

enthalten in: The journal of physical chemistry / B | 1999

von Dachsel, H. | Harrison, R. | Dixon, D.