Albert M. Lund

Report on the sixth blind test of organic crystal structure prediction methods

Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 593 citations · Full text

Crystal Structure, Engineering, Organic Chemistry +16

Optimization of Crystal Structures of Archetypical Pharmaceutical Compounds: A Plane-Wave DFT-D Study Using Quantum Espresso

Albert M. Lund, Anita M. Orendt, Gabriel I. Pagola et al. · Crystal Growth & Design · 2013 · 41 citations · Full text

Crystal Structure, Engineering, Computational Chemistry +18

Crystal structure prediction from first principles: The crystal structures of glycine

Albert M. Lund, Gabriel I. Pagola, Anita M. Orendt et al. · Chemical Physics Letters · 2015 · 28 citations · Full text

Crystal Structure, Engineering, First Principles +9

STHAM: an agent based model for simulating human exposure across high resolution spatiotemporal domains

Albert M. Lund, Ramkiran Gouripeddi, Julio C. Facelli · Journal of Exposure Science & Environmental Epidemiology · 2020 · 21 citations · Full text

Crowd Simulation, Engineering, Data Science +9

Molecular dynamics simulations in drug delivery research: Calcium chelation of G3.5 PAMAM dendrimers

David Jones, Albert M. Lund, Hamidreza Ghandehari et al. · Cogent Chemistry · 2016 · 18 citations · Full text