80 citations · 135 across the 3 of their papers we have counts for
7 papers
Ab initio energy landscape of LiF clusters
K. Doll, J. C. Schoen, M. Jansen
A global search for possible LiF cluster structures is performed, up to (LiF)8. The method is based on simulated annealing, where all the energies are evaluated on the ab initio le…
Global exploration of the energy landscape of solids on the ab initio level
K. Doll, J. C. Schön, M. Jansen
Predicting which crystalline modifications can be present in a chemical system requires the global exploration of its energy landscape. Due to the large computational effort involv…
Non-equilibrium dynamics in amorphous Si3B3N7
A. Hannemann, J. C. Schon, M. Jansen +1
We present numerical investigations of the dynamics on the energy landscape of a realistic model of the high-temperature ceramic a-Si3B3N7. Below a critical temperature Tc = 2000 K…
Energy and entropy of metastable states in glassy systems
J. Christian Schoen, P. Sibani
We investigate the multi-valley energy landscape of a 3-D on-lattice network model for covalent glasses, numerically determining the shape of the valleys, the local density of stat…
Simulation of thermal conductivity and heat transport in solids
C. Oligschleger, J. C. Sch"on
Using molecular dynamics (MD) with classical interaction potentials we present calculations of thermal conductivity and heat transport in crystals and glasses. Inducing shock waves…
The lid method for exhaustive exploration of metastable states of complex systems
Paolo Sibani, Ruud van der Pas, J. Christian Schoen
The `lid' algorithm performs an exhaustive exploration of neighborhoods of local energy minima of energy landscapes. This paper describes an implementation of the algorithm, includ…