activity
20022016
most citedAb initio calculations of optical properties of silver clusters: Cross-over from molecular to nanoscale behavior

15 citations · 35 across the 6 of their papers we have counts for

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Showing 2014Show all

1 paper · 1 filter

cond-mat.soft2014

Crossovers in supercooled solvation water: Effects of hydrophilic & hydrophobic interactions

John T. Titantah, Mikko Karttunen

We use systematic 8 ns ab initio molecular dynamics (AIMD) to study the structure and dynamics of water in bulk, and close to both hydrophobic and hydrophilic (carbonyl) groups of…