TY  - JOUR
U1  - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed)
A1  - Reith, Dirk
A1  - Kirschner, Karl N.
T1  - A modern workflow for force-field development – Bridging quantum mechanics and atomistic computational models
JF  - Computer Physics Communications
KW  - Atomistic force fields
KW  - Scientific workflows
KW  - Parameter optimization
KW  - Multiscale modeling
SN  - 0010-4655
SS  - 0010-4655
U6  - https://doi.org/10.1016/j.cpc.2011.05.018
DO  - https://doi.org/10.1016/j.cpc.2011.05.018
N1  - © 2011 Elsevier B.V. All rights reserved.
VL  - 182
IS  - 10
SP  - 2184
EP  - 2191
PB  - Elsevier
ER  -