An interatomic potential for saturated hydrocarbons based on the modified embedded-atom method

Reactive Potentials for Advanced Atomistic Simulations

(2013) Tao Liang et al.   Annual Review of Materials Research

Temperature influence on the reactivity of plasma species on a nickel catalyst surface: An atomic scale study

(2013) W. Somers et al.   CATALYSIS TODAY

Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations

(2013) Fidel Castro-Marcano et al.   COMBUSTION AND FLAME

Reactive Dynamics Simulation of Monolayer and Multilayer Adsorption of Glycine on Cu(110)

(2013) Susanna Monti et al.   Journal of Physical Chemistry C

Molecular dynamics simulations of the interactions between TiO2 nanoparticles and water with Na+ and Cl−, methanol, and formic acid using a reactive force field

(2012) Sung-Yup Kim et al.   JOURNAL OF MATERIALS RESEARCH

Variable Charge Reactive Potential for Hydrocarbons to Simulate Organic-Copper Interactions

(2012) Tao Liang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Modified embedded atom method potential for Al, Si, Mg, Cu, and Fe alloys

(2012) B. Jelinek et al.   PHYSICAL REVIEW B

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

The modified embedded-atom method interatomic potentials and recent progress in atomistic simulations

(2010) Byeong-Joo Lee et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Modified embedded atom method study of the mechanical properties of carbon nanotube reinforced nickel composites

(2010) Jamal Uddin et al.   PHYSICAL REVIEW B

First-principles and classical molecular dynamics simulation of shocked polymers

(2010) Thomas R. Mattsson et al.   PHYSICAL REVIEW B

Second-generation charge-optimized many-body potential forSi/SiO2and amorphous silica

(2010) Tzu-Ray Shan et al.   PHYSICAL REVIEW B

Modified embedded-atom method interatomic potentials for the Fe–Ti–C and Fe–Ti–N ternary systems

(2009) Hyun-Kyu Kim et al.   ACTA MATERIALIA

AccuratePρTData for Methane from (300 to 450) K up to 180 MPa

(2009) Diego E. Cristancho et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Benchmark Thermochemistry of the CnH2n+2Alkane Isomers (n= 2−8) and Performance of DFT and Composite Ab Initio Methods for Dispersion-Driven Isomeric Equilibria

(2009) Amir Karton et al.   JOURNAL OF PHYSICAL CHEMISTRY A

MEAM study of carbon atom interaction with Ni nano particle

(2009) Wei Xiao et al.   SURFACE SCIENCE

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A