Chemical compound design using nuclear charge distributions

DOI10.1007/S10910-018-0896-3zbMath1401.92224OpenAlexW233247750WikidataQ130184871 ScholiaQ130184871MaRDI QIDQ1617573

B. Christopher Rinderspacher

Publication date: 8 November 2018

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-018-0896-3

zbMATH Keywords

chemical designnuclear charge distribution

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Optimization by Simulated Annealing
• Non-periodic finite-element formulation of Kohn-Sham density functional theory
• Quasi-continuum orbital-free density-functional theory: a route to multi-million atom non-periodic DFT calculation
• Evolution algorithms in combinatorial optimization
• Generalized Simulated Annealing for Function Optimization

This page was built for publication: Chemical compound design using nuclear charge distributions