Ward Poelmans

Reproducibility in density functional theory calculations of solids

Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman et al. · Science · 2016 · 1.6K citations · Full text

Molecular Solid, Engineering, Physics +13

CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry

Sebastian Wouters, Ward Poelmans, Paul W. Ayers et al. · Computer Physics Communications · 2014 · 185 citations · Full text

Physics, Many-body Quantum Physic, Natural Sciences +6

Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function

Ward Poelmans, Mario Van Raemdonck, Brecht Verstichel et al. · Journal of Chemical Theory and Computation · 2015 · 58 citations · Full text

Numerical Analysis, Engineering, Variational Analysis +19

Variational Two-Particle Density Matrix Calculation for the Hubbard Model Below Half Filling Using Spin-Adapted Lifting Conditions

Brecht Verstichel, Helen van Aggelen, Ward Poelmans et al. · Physical Review Letters · 2012 · 45 citations · Full text

Spintronics, Quantum Science, Complicated Phase Diagram +14

Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions

Mario Van Raemdonck, Diego R. Alcoba, Ward Poelmans et al. · The Journal of Chemical Physics · 2015 · 39 citations · Full text

Numerical Analysis, Large-scale Global Optimization, Engineering +21