Mark P Waller

ChemPreview: an augmented reality-based molecular interface.

Min Zheng, Mark P Waller, 2017, Journal of molecular graphics & modelling.

Q|R: quantum-based refinement.

Min Zheng, Pavel V Afonine, Mark P Waller, 2017, Acta crystallographica. Section D, Structural biology.

Hybrid Metaheuristic Approach for Nonlocal Optimization of Molecular Systems.

Jack Yang, Thomas Dresselhaus, Mark P Waller, 2013, Journal of chemical theory and computation.

Rational Density Functional Selection Using Game Theory

Mark P Waller, Suzanne McAnanama-Brereton, M. Waller, 2017, J. Chem. Inf. Model..

Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory.

Michael Bühl, Mark P Waller, M. Waller, 2007, Journal of chemical theory and computation.

Solving the scalability issue in quantum-based refinement: Q|R#1.

Pavel V Afonine, Nigel W Moriarty, Mark P Waller, 2017, Acta crystallographica. Section D, Structural biology.

A new orbital-based model for the analysis of experimental molecular charge densities: an application to (Z)-N-methyl-C-phenylnitrone.

Mark P Waller, David E Hibbs, J. Huke, 2005, Physical chemistry chemical physics : PCCP.