Alister J. Page

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

B. Hourahine, Bálint Aradi, Volker Blüm et al. · The Journal of Chemical Physics · 2020 · 1.1K citations · Full text

Quantum Dynamic, Engineering, Material Simulation +21

Nanostructure, hydrogen bonding and rheology in choline chloride deep eutectic solvents as a function of the hydrogen bond donor

Ryan Stefanovic, Michael Ludwig, Grant B. Webber et al. · Physical Chemistry Chemical Physics · 2016 · 338 citations

Mechanisms of Single-Walled Carbon Nanotube Nucleation, Growth, and Healing Determined Using QM/MD Methods

Alister J. Page, Yasuhito Ohta, Stephan Irle et al. · Accounts of Chemical Research · 2010 · 145 citations

Engineering, Chemistry, Molecular Dynamics +16

Applied heterogeneous catalysis

Alister J. Page · OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) · 1988 · 131 citations

Chemical Engineering, Catalytic Application, Reference Book +13

Quantum Chemical Molecular Dynamics Simulation of Single-Walled Carbon Nanotube Cap Nucleation on an Iron Particle

Yasuhito Ohta, Y. Okamoto, Alister J. Page et al. · ACS Nano · 2009 · 117 citations