A density of states transformation Monte Carlo method: Thermodynamics of the Lennard‐Jones fluid

1988 ◽  
Vol 89 (4) ◽  
pp. 2312-2323 ◽  
Author(s):  
M. S. Shaw
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Density Of States ◽  
Lennard Jones

scholarly journals Accelerated rare event sampling

2016 ◽  
Vol 27 (04) ◽  
pp. 1650041 ◽  
Author(s):  
David Yevick
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Density Of States ◽  
Transition Matrix ◽  
Rare Event ◽  
Sampling Procedure ◽  
Parameter Range

A sampling procedure for the transition matrix Monte Carlo method is introduced that generates the density of states function over a wide parameter range with minimal coding effort.

Monte Carlo method for computing density of states and quench probability of potential energy and enthalpy landscapes

2007 ◽  
Vol 126 (19) ◽  
pp. 194103 ◽  
Author(s):  
John C. Mauro ◽  
Roger J. Loucks ◽  
Jitendra Balakrishnan ◽  
Srikanth Raghavan
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Potential Energy ◽  
Density Of States

scholarly journals An improved Monte Carlo method for direct calculation of the density of states

2003 ◽  
Vol 119 (18) ◽  
pp. 9406-9411 ◽  
Author(s):  
M. Scott Shell ◽  
Pablo G. Debenedetti ◽  
Athanassios Z. Panagiotopoulos
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Density Of States ◽  
Direct Calculation

DENSITY-OF-STATES MONTE CARLO METHOD FOR SIMULATION OF TWO-DIMENSIONAL RANDOM BOND POTTS MODEL

2004 ◽  
Vol 18 (17n19) ◽  
pp. 2745-2751
Author(s):  
YOU YU ◽  
HE-PING YING ◽  
QING-HU CHEN ◽  
ZHENG-QUAN PAN
Keyword(s):  
Phase Transition ◽  
Monte Carlo ◽  
Monte Carlo Method ◽  
Thermodynamic Properties ◽  
Density Of States ◽  
Potts Model ◽  
Bimodal Distribution ◽  
The Self ◽  
Two Dimensional ◽  
Finite Lattices

Softening of the phase transition and critical phenomena for the 2D random-bond Potts ferromagnet is investigated by using the density-of-states Monte Carlo method to calculate the thermodynamic properties with a variety of the quenched bond-randomness characterized by a disorder amplitude r=Ks/Kw. The numerical results show that the crossover from the 1st- to 2nd-order transition was induced at finite lattices for the self-dual bimodal distribution.

Monte-Carlo Simulation of Nitrogen

1976 ◽  
Vol 31 (9) ◽  
pp. 1108-1112 ◽  
Author(s):  
S. Romano
Keyword(s):  
Computer Simulation ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Method ◽  
Liquid Nitrogen ◽  
Molecular Vibration ◽  
Lennard Jones ◽  
The Subject ◽  
Atom Potential

Abstract The subject of the present paper is computer simulation of a-solid and liquid nitrogen, using a Lennard-Jones atom-atom potential and the isothermal-isobaric Monte-Carlo method. Two sets of calculations were performed, both at the same pressure (1 atm) and temperatures (a-solid at 25 and 35.6 K, liquid at 63.15 and 77.35 K). In the first set the molecules are assumed to be rigid, whereas in the second they are allowed to vibrate; the molecular vibration is treated classically and as-sumed to be harmonic. Comparison are mode between the two models and with experiment.

scholarly journals A new Monte Carlo method for getting the density of states of atomic cluster systems

2011 ◽  
Vol 135 (14) ◽  
pp. 144109 ◽  
Author(s):  
J.-M. Soudan ◽  
M. Basire ◽  
J.-M. Mestdagh ◽  
C. Angelié
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Density Of States ◽  
Atomic Cluster ◽  
Cluster Systems
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