List of works - Luke Shulenburger

A new generation of effective core potentials for correlated calculations.

scientific article

A new generation of effective core potentials from correlated calculations: 2nd row elements

scientific article published on 01 September 2018

A new generation of effective core potentials from correlated calculations: 3d transition metal series

scientific article published on 01 October 2018

A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions

scientific article published on 01 October 2019

An efficient hybrid orbital representation for quantum Monte Carlo calculations

scientific article published on 01 August 2018

Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions.

scientific article published in August 2014

Crystal structures of (Mg1-x,Fe(x))SiO3 postperovskite at high pressures

scientific article published on 5 January 2012

Equations of state and stability ofMgSiO3perovskite and post-perovskite phases from quantum Monte Carlo simulations ⬇️

scholarly article in Physical Review B, vol. 90 no. 18, November 2014

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.

scientific article

Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magnéli phase. ⬇️

scientific article

Shock Response and Phase Transitions of MgO at Planetary Impact Conditions ⬇️

scientific article published on 04 November 2015

The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus. ⬇️

scientific article published on 4 November 2015

The Principal Hugoniot of Forsterite to 950 GPa

scientific article published on 12 May 2018

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond

scientific article published on 01 November 2020

Validating density-functional theory simulations at high energy-density conditions with liquid krypton shock experiments to 850 GPa on Sandia's Z machine

scholarly article in Physical Review B, vol. 90 no. 18, November 2014

X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition. ⬇️

scientific article

List of works by Luke Shulenburger

A new generation of effective core potentials for correlated calculations.

A new generation of effective core potentials from correlated calculations: 2nd row elements

A new generation of effective core potentials from correlated calculations: 3d transition metal series

A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions

An efficient hybrid orbital representation for quantum Monte Carlo calculations

Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions.

Crystal structures of (Mg1-x,Fe(x))SiO3 postperovskite at high pressures

Equations of state and stability ofMgSiO3perovskite and post-perovskite phases from quantum Monte Carlo simulations ⬇️

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.

Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magnéli phase. ⬇️

Shock Response and Phase Transitions of MgO at Planetary Impact Conditions ⬇️

The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus. ⬇️

The Principal Hugoniot of Forsterite to 950 GPa

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond

Validating density-functional theory simulations at high energy-density conditions with liquid krypton shock experiments to 850 GPa on Sandia's Z machine

X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition. ⬇️