On the time scale associated with Monte Carlo simulations

Microscopic mechanisms of vertical graphene and carbon nanotube cap nucleation from hydrocarbon growth precursors

(2014) Umedjon Khalilov et al.   Nanoscale

Thermodynamics at the nanoscale: phase diagrams of nickel–carbon nanoclusters and equilibrium constants for phase transitions

(2014) Yannick Engelmann et al.   Nanoscale

Formation of single layer graphene on nickel under far-from-equilibrium high flux conditions

(2013) Erik C. Neyts et al.   Nanoscale

Accelerated molecular dynamics through stochastic iterations and collective variable based basin identification

(2013) Pratyush Tiwary et al.   PHYSICAL REVIEW B

Dynamic Monte Carlo simulations of anisotropic colloids

(2012) Sara Jabbari-Farouji et al.   JOURNAL OF CHEMICAL PHYSICS

Establishing Uniform Acceptance in Force Biased Monte Carlo Simulations

(2012) E. C. Neyts et al.   Journal of Chemical Theory and Computation

Role of defect healing on the chirality of single-wall carbon nanotubes

(2012) M. Diarra et al.   PHYSICAL REVIEW B

Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion

(2012) Maarten J. Mees et al.   PHYSICAL REVIEW B

Brownian dynamics and dynamic Monte Carlo simulations of isotropic and liquid crystal phases of anisotropic colloidal particles: A comparative study

(2012) Alessandro Patti et al.   PHYSICAL REVIEW E

Combining molecular dynamics with Monte Carlo simulations: implementations and applications

(2012) Erik C. Neyts et al.   THEORETICAL CHEMISTRY ACCOUNTS

Theoretical Investigation of Grain Size Tuning during Prolonged Bias-Enhanced Nucleation

(2011) Maxie Eckert et al.   CHEMISTRY OF MATERIALS

Monte Carlo and event-driven dynamics of Brownian particles with orientational degrees of freedom

(2011) Flavio Romano et al.   JOURNAL OF CHEMICAL PHYSICS

Hybrid deterministic and stochastic approach for efficient atomistic simulations at long time scales

(2011) Pratyush Tiwary et al.   PHYSICAL REVIEW B

Nickel-Assisted Healing of Defective Graphene

(2010) Sondes Karoui et al.   ACS Nano

Catalyzed Growth of Carbon Nanotube with Definable Chirality by Hybrid Molecular Dynamics−Force Biased Monte Carlo Simulations

(2010) Erik C. Neyts et al.   ACS Nano

Bond switching regimes in nickel and nickel–carbon nanoclusters

(2010) E. Neyts et al.   CHEMICAL PHYSICS LETTERS

Dynamic Monte Carlo simulation in mixtures

(2010) Gábor Rutkai et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamic Monte Carlo versus Brownian dynamics: A comparison for self-diffusion and crystallization in colloidal fluids

(2010) E. Sanz et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling diffusion and phase transitions by a uniform-acceptance force-bias Monte Carlo method

(2010) Maria Timonova et al.   PHYSICAL REVIEW B

Modeling adatom surface processes during crystal growth: A new implementation of the Metropolis Monte Carlo algorithm

(2009) Maxie Eckert et al.   CRYSTENGCOMM

Surface diffusion coefficients: Substrate dynamics matters

(2008) LingTi Kong et al.   PHYSICAL REVIEW B

Correlation between self-diffusion in Si and the migration mechanisms of vacancies and self-interstitials: An atomistic study

(2008) M. Posselt et al.   PHYSICAL REVIEW B