𝔖 Bobbio Scriptorium
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Novel semiempirical method for quantum Monte Carlo simulation: Application to amorphous silicon

✍ Scribed by Tóth, Gergely; Náray-Szabó, Gábor


Book ID
111937238
Publisher
American Institute of Physics
Year
1994
Tongue
English
Weight
579 KB
Volume
100
Category
Article
ISSN
0021-9606

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✍ Tim Mulder; Vagelis A. Harmandaris; Alexey V. Lyulin; Nico F. A. van der Vegt; M 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 563 KB

## Abstract Well‐equilibrated atactic‐polystyrene (aPS) samples are obtained through the end‐bridging Monte Carlo (EBMC) algorithm. A coarse‐grained (CG) description of aPS is used; monomers are represented by two CG beads. The algorithm produces correct polymer conformations on all length scales,