Douglas J. Doren

Neural network models of potential energy surfaces

Thomas B. Blank, Steven D. Brown, August Calhoun et al. · The Journal of Chemical Physics · 1995 · 486 citations

Engineering, Neural Network, Computational Chemistry +17

Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization

Obaidur Rahaman, Adri C. T. van Duin, William A. Goddard et al. · The Journal of Physical Chemistry B · 2010 · 215 citations

Adsorption of water on Si(100)-(2×1): A study with density functional theory

Robert Konečný, Douglas J. Doren · The Journal of Chemical Physics · 1997 · 191 citations

Engineering, Surface Chemistry, Surface Dimer Bond +14

Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases

Adri C. T. van Duin, Vyacheslav S. Bryantsev, Mamadou S. Diallo et al. · The Journal of Physical Chemistry A · 2010 · 184 citations · Full text

Band gap tailoring of Nd3+-doped TiO2 nanoparticles

W. Li, Y. Wang, Hong Lin et al. · Applied Physics Letters · 2003 · 172 citations

Materials Science, Nd3+-doped Tio2 Nanoparticles, Engineering +14