Massively Parallel and Linear-Scaling Algorithm for Second-Order Møller-Plesset Perturbation Theory Applied to the Study of Supramolecular Wires Journal March, 2017
A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD)... Journal February, 2017
High On/Off Ratio Memristive Switching of Manganite-Cuprate Bilayer by Interfacial Magnetoelectricity Journal August, 2016
Monomer volume fraction profiles in pH responsive planar polyelectrolyte brushes... Journal June, 2016
Cosolvent pretreatment in cellulosic biofuel production: effect of tetrahydrofuran-water on lignin structure and dynamics... Journal March, 2016
Enhanced sampling simulation analysis of the structure of lignin in the THF-water miscibility gap Journal March, 2016
