Webrelaunch 2020

Dr. Lukas Fath (ausgeschieden)

RESEARCH INTERESTS:

  • Geometric Numerical Integration
  • Molecular Dynamics (LAMMPS, GROMACS)
  • Atomistic Simulation of Friction between Ice/Ice Interfaces
  • Normal Mode Analysis

PUBLICATIONS:

(1) L. Fath, M. Hochbruck, und C.V. Singh
A fast mollified impulse method for biomolecular atomistic simulations
J. Comp. Phys., vol. 333, pp. 180-198 (2017)
Preprint, Paper


(2) L. Fath
On Multiscale Algorithms for Selected Applications in Molecular Mechanics
PhD thesis, March 2017, supervisors Marlis Hochbruck and Volker Grimm
Thesis


SOFTWARE:

LAMMPS:
Corotational filter for a mollified impulse method, see paper (1):
now directly included as feature fix filter/corotate in LAMMPS (released in version 17Mar2017)
code can also be found here: Filter/Corotate

CHEBFUN:
C++ implementation of legpts (CHEBFUN)