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Anders J. Markvardsen

Researcher at Rutherford Appleton Laboratory

Publications -  39
Citations -  1718

Anders J. Markvardsen is an academic researcher from Rutherford Appleton Laboratory. The author has contributed to research in topics: Powder diffraction & Software. The author has an hindex of 12, co-authored 37 publications receiving 1362 citations. Previous affiliations of Anders J. Markvardsen include University of Oxford.

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A probabilistic approach to space-group determination from powder diffraction data

TL;DR: An algorithm for the determination of the space-group symmetry of a crystal from powder diffraction data, based upon probability theory, is described, finding that only a small number of extinction symbols are relatively highly probable and a single extinction symbol is often significantly more probable than any other.
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Conformational analysis by solid-state NMR and its application to restrained structure determination from powder diffraction data

TL;DR: Solid-state NMR is used to dramatically improve the efficiency and reliability of molecular crystal structure determination from X-ray powder diffraction data.
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A hybrid Monte Carlo method for crystal structure determination from powder diffraction data

TL;DR: The algorithm combines the key components of molecular dynamics and Monte Carlo simulations to achieve efficient sampling of phase space, allowing the crystal structure of capsaicin to be determined from powder diffraction data more effectively than by a simulated-annealing approach.