title: Atomdroid: a computational chemistry tool for mobile platforms.
abstract: We present the implementation of a new molecular mechanics program designed for use in mobile platforms, the first specifically built for these devices. The software is designed to run on Android operating systems and is compatible with several modern tablet-PCs and smartphones available in the market. It includes molecular viewer/builder capabilities with integrated routines for geometry optimizations and Monte Carlo simulations. These functionalities allow it to work as a stand-alone tool. We discuss some particular development aspects, as well as the overall feasibility of using computational chemistry software packages in mobile platforms. Benchmark calculations show that through efficient implementation techniques even hand-held devices can be used to simulate midsized systems using force fields.
authors.affiliation: Institut für Physikalische Chemie, Universität Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany.
authors.forename: Jonas
authors.initials: J
authors.lastname: Feldt
authors.forename: Ricardo A
authors.initials: RA
authors.lastname: Mata
authors.forename: Johannes M
authors.initials: JM
authors.lastname: Dieterich
mesh_terms: D019086:Bridged Bicyclo Compounds, Heterocyclic / Q000737:chemistry; D002110:Caffeine / Q000737:chemistry; D063731:Mobile Applications; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D015288:Neurokinin A / Q000737:chemistry; D012985:Software Design
chemical_list: D019086:Bridged Bicyclo Compounds, Heterocyclic; C006071:cryptating agent 222; D002110:Caffeine; D015288:Neurokinin A