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FOIS
2008
13 years 11 months ago
An Upper-Level Ontology for Chemistry
Chemical entities are the foundation of biochemistry and biology, but until now there have been few coherent attempts to produce a top-level ontology for chemistry to connect ontol...
Colin R. Batchelor
IPPS
2007
IEEE
14 years 4 months ago
An Optimizing Compiler for Parallel Chemistry Simulations
Well designed domain specific languages enable the easy expression of problems, the application of domain specific optimizations, and dramatic improvements in productivity for t...
Jun Cao, Ayush Goyal, Samuel P. Midkiff, James M. ...
ECAL
2007
Springer
14 years 4 months ago
Building Virtual Ecosystems from Artificial Chemistry
Abstract. This paper adopts an interdisciplinary view of the significant elements of ecosystems and the methods by which these might be simulated to explore theoretical issues of r...
Alan Dorin, Kevin B. Korb
JCC
2007
110views more  JCC 2007»
13 years 9 months ago
Electron correlation: The many-body problem at the heart of chemistry
Abstract: The physical interactions among electrons and nuclei, responsible for the chemistry of atoms and molecules, is well described by quantum mechanics and chemistry is theref...
David P. Tew, Wim Klopper, Trygve Helgaker
CHI
2007
ACM
14 years 10 months ago
Tangible user interface for chemistry education: comparative evaluation and re-design
Augmented Chemistry (AC) is an application that utilizes a tangible user interface (TUI) for organic chemistry education. The empirical evaluation described in this paper compares...
Morten Fjeld, Jonas Fredriksson, Martin Ejdestig, ...