Journal of Computer-Aided Materials Design

The Quasicontinuum Method: Overview, applications and current directions

Ronald E. Miller, Ellad B. Tadmor · 2002 · 478 citations

Natural Sciences, Physics, Computational Mechanics +13

An overview of spatial microscopic and accelerated kinetic Monte Carlo methods

Abhijit Chatterjee, Dionisios G. Vlachos · 2007 · 469 citations

Natural Sciences, Computational Engineering, Chemical Kinetics +12

Core structure and Peierls potential of screw dislocations in α-Fe from first principles: cluster versus dipole approaches

Lisa Ventelon, F. Willaime · 2007 · 154 citations

Natural Sciences, Materials Science, Physics +14

Molecular dynamics simulations of HMX crystal polymorphs using a flexible molecule force field

Dmitry Bedrov, Chakravarthy Ayyagari, Grant D. Smith et al. · 2001 · 126 citations

Natural Sciences, Materials Engineering, Materials Science +12

Calculations of theoretical strength: State of the art and history

Jaroslav Pokluda, Miroslav Černý, Pavel Šandera et al. · 2004 · 113 citations

Natural Sciences, Physics, Mathematical Physics +8