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cond-mat.soft2003
Saddles in the energy landscape: extensivity and thermodynamic formalism
M. S. Shell, P. G. Debenedetti, A. Z. Panagiotopoulos
We formally extend the energy landscape approach for the thermodynamics of liquids to account for saddle points. By considering the extensive nature of macroscopic potential energi…
cond-mat.soft2003
An improved Monte Carlo method for direct calculation of the density of states
M. S. Shell, P. G. Debenedetti, A. Z. Panagiotopoulos
We present an efficient Monte Carlo algorithm for determining the density of states which is based on the statistics of transition probabilities between states. By measuring the in…