𝔖 Bobbio Scriptorium
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Solvation structure and energetics of single ions at the aqueous liquid–vapor interface

✍ Scribed by Brad A. Bauer; Shuching Ou; Sandeep Patel

Book ID
113555401
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
516 KB
Volume
527
Category
Article
ISSN
0009-2614

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Molecular dynamics simulations of aqueous ions at the liquid–vapor interface accelerated using graphics processors
✍ Brad A. Bauer; Joseph E. Davis; Michela Taufer; Sandeep Patel 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 291 KB

## Abstract Molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide an atomistic view of chemical systems and processes that is not obtainable through experiment. However, large‐scale MD simulations require access to multicore clusters or supercomputer