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ACS Applied Materials & Interfaces|October 10, 2018
Structure-Property of Lithium-Sulfur Nanoparticles via Molecular Dynamics SimulationYing Li, Nichols A Romero, Kah Chun LauJournal of Computational Chemistry|January 14, 2012
Recent performance improvements to the DFT and TDDFT in GAMESSMichael E Lasinski, Nichols A Romero, Shawn T Brown, et al.The Journal of Physical Chemistry. A|May 8, 2019
Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution ApproachLaura E Ratcliff, W Scott Thornton, Álvaro Vázquez Mayagoitia, et al.Journal of Chemical Theory and Computation|November 21, 2015
Application of Diffusion Monte Carlo to Materials Dominated by van der Waals InteractionsAnouar Benali, Luke Shulenburger, Nichols A Romero, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 3, 2008
Predicting C-H/pi interactions with nonlocal density functional theoryJoe Hooper, Valentino R Cooper, Timo Thonhauser, et al.The Journal of Physical Chemistry Letters|August 21, 2015
Investigation of Catalytic Finite-Size-Effects of Platinum Metal ClustersLin Li, Ask H Larsen, Nichols A Romero, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 28, 2018
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solidsJeongnim Kim, Andrew T Baczewski, Todd D Beaudet, et al.Pageof 1