wssspe.pdf (151.8 kB)
On the Development of Sustainable Software for Computational Chemistry
Position/experience paper for consideration for inclusion for the First Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE)
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- Analytical spectrometry
- Radiation and matter
- Numerical analysis
- Inorganic chemistry not elsewhere classified
- Organic chemistry not elsewhere classified
- Biochemistry and cell biology not elsewhere classified
- Cheminformatics and quantitative structure-activity relationships
- Applications in physical sciences
- Supramolecular chemistry
- Foundations of quantum mechanics
- Applied computing not elsewhere classified
- Atomic and molecular physics
- Environmental biogeochemistry
- Geochemistry not elsewhere classified
- Crystallography
- Digital processor architectures
- Other information and computing sciences not elsewhere classified
Keywords
computational chemistryNMR SpectroscopyRadiochemistryNumerical AnalysisInorganic ChemistryStereochemistryNuclear ChemistryBiochemistryCheminformaticsComputational PhysicsSupramolecular ChemistryQuantum MechanicsApplied Computer ScienceOrganic ChemistryMolecular PhysicsEnvironmental ChemistryGeochemistryCrystallographyComputer Engineering
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