- Home
- Publications
- Publication Search
- Publication Details
Title
On the inner workings of Monte Carlo codes
Authors
Keywords
-
Journal
MOLECULAR SIMULATION
Volume 39, Issue 14-15, Pages 1253-1292
Publisher
Informa UK Limited
Online
2013-10-02
DOI
10.1080/08927022.2013.819102
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- High-Throughput Characterization of Porous Materials Using Graphics Processing Units
- (2012) Jihan Kim et al. Journal of Chemical Theory and Computation
- Calculation of Partition Functions and Free Energies of a Binary Mixture Using the Energy Partitioning Method: Application to Carbon Dioxide and Methane
- (2012) Hainam Do et al. JOURNAL OF PHYSICAL CHEMISTRY B
- An Extended Charge Equilibration Method
- (2012) Christopher E. Wilmer et al. Journal of Physical Chemistry Letters
- Perturbation method to calculate the density of states
- (2012) Rasmus A. X. Persson PHYSICAL REVIEW E
- A general and efficient Monte Carlo method for sampling intramolecular degrees of freedom of branched and cyclic molecules
- (2011) Jindal K. Shah et al. JOURNAL OF CHEMICAL PHYSICS
- Osmotic ensemble methods for predicting adsorption-induced structural transitions in nanoporous materials using molecular simulations
- (2011) Ji Zang et al. JOURNAL OF CHEMICAL PHYSICS
- Rapid calculation of partition functions and free energies of fluids
- (2011) Hainam Do et al. JOURNAL OF CHEMICAL PHYSICS
- Reaction Ensemble Monte Carlo Simulation of Complex Molecular Systems
- (2011) Thomas W. Rosch et al. Journal of Chemical Theory and Computation
- Calculating Thermodynamic Properties from Fluctuations at Small Scales
- (2011) Sondre K. Schnell et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Determining Force Field Parameters Using a Physically Based Equation of State
- (2011) Thijs van Westen et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Accurate Treatment of Electrostatics during Molecular Adsorption in Nanoporous Crystals without Assigning Point Charges to Framework Atoms
- (2011) Taku Watanabe et al. Journal of Physical Chemistry C
- Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects
- (2011) Sondre K. Schnell et al. MOLECULAR PHYSICS
- Enantioselective Adsorption in Achiral Zeolites
- (2010) Titus S. van Erp et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Towards rapid computational screening of metal-organic frameworks for carbon dioxide capture: Calculation of framework charges via charge equilibration
- (2010) Christopher E. Wilmer et al. CHEMICAL ENGINEERING JOURNAL
- Measure-preserving integrators for molecular dynamics in the isothermal–isobaric ensemble derived from the Liouville operator
- (2010) Tang-Qing Yu et al. CHEMICAL PHYSICS
- Progress and Outlook in Monte Carlo Simulations
- (2010) Doros N. Theodorou INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Efficient Sampling of Atomic Configurational Spaces
- (2010) Lívia B. Pártay et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Effective Monte Carlo Scheme for Multicomponent Gas Adsorption and Enantioselectivity in Nanoporous Materials
- (2010) Titus S. van Erp et al. Journal of Physical Chemistry Letters
- Diffusive nested sampling
- (2010) Brendon J. Brewer et al. STATISTICS AND COMPUTING
- Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional
- (2009) Carlos Campañá et al. Journal of Chemical Theory and Computation
- Systematic First Principles Parameterization of Force Fields for Metal−Organic Frameworks using a Genetic Algorithm Approach
- (2009) Maxim Tafipolsky et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Comment on Comparative Molecular Simulation Study of CO2/N2and CH4/N2Separation in Zeolites and Metal−Organic Frameworks
- (2009) Rajamani Krishna et al. LANGMUIR
- New techniques for simulating crystals
- (2009) Martin B. Sweatman MOLECULAR SIMULATION
- Molecular-level simulations of chemical reaction equilibrium for nitric oxide dimerization reaction in disordered nanoporous carbons
- (2008) Martin Lísal et al. FLUID PHASE EQUILIBRIA
- A direct multiple histogram reweighting method for optimal computation of the density of states
- (2008) Michael K. Fenwick JOURNAL OF CHEMICAL PHYSICS
- Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions
- (2008) T. J. H. Vlugt et al. Journal of Chemical Theory and Computation
- Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: Development and implementation of the continuous fractional component move
- (2008) Wei Shi et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- GSHMC: An efficient method for molecular simulation
- (2008) Elena Akhmatskaya et al. JOURNAL OF COMPUTATIONAL PHYSICS
- Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review†
- (2008) C. Heath Turner et al. MOLECULAR SIMULATION
- Tethered Monte Carlo: Computing the effective potential without critical slowing down
- (2008) L.A. Fernandez et al. NUCLEAR PHYSICS B
- Improving Wang-Landau sampling with adaptive windows
- (2008) A. G. Cunha-Netto et al. PHYSICAL REVIEW E
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now