Being able to accurately predict dopant profiles at sub-keV implant energies is critical for the microelectronic industry. Molecular Dynamics (MD), with its capability to account for multiple interactions as energy lowers, is an increasingly popular simulation method. We report our work on sub-keV i
A comparison of the potential energy parameters of aliphatic alkanes: molecular dynamics simulations of triacylglycerols in the alpha phase
β Scribed by Indira Chandrasekhar, Wilfred F. van Gunsteren
- Publisher
- Springer
- Year
- 2002
- Tongue
- English
- Weight
- 202 KB
- Volume
- 31
- Category
- Article
- ISSN
- 1432-1017
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## Abstract We have explored the impact of a number of basic simulation parameters on the results of a recently developed hybrid molecular dynamicsβquantum mechanics (MDβQM) method (Mercer et al., J Phys Chem B 1999, 103, 7720). The method utilizes MD simulations to explore the groundβstate configu
Molecular dynamics simulations have been performed on the collision between a cesium ion and a cluster of twenty methanol molecules. This process, generating a solvated ion, was studied over a range (I to 25 eV> of eight collision energies. Preliminary analysis of this gas phase solvation has includ