LS
Luke Shulenburger
cond-mat.mtrl-sciphysics.chem-phphysics.comp-phcond-mat.str-elcs.DCphysics.geo-phphysics.plasm-phab initioastro-ph.EPinterlayer interaction
On Valency
published · living versionsW_72wjq5bu·v1 · currentpublished
Phase Stability of TiO Polymorphs from Diffusion Quantum Monte Carlo
with Ye Luo, Anouar Benali, Jaron T. Krogel, Olle Heinonen +1
1 version
Preprints & journals
27 papers in the corpus · 2008–2026Experimental Demonstration of Dynamical Similarity of the Preseeded Magneto-Rayleigh-Taylor Instability in Scaled Z-Pinch Implosions.42675389 · Ruiz, D E, Yager-Elorriaga, D A, Fein, J R et al.2026 · 0 citationsPhysical review letters. 2026;137(7):075102
Frontiers of stochastic electronic structure calculations.34241059 · Morales-Silva, Miguel A, Jordan, Kenneth D, Shulenburger, Luke et al.2021 · 9 citationsThe Journal of chemical physics. 2021;154(17):170401
Melting and density of MgSiO3 determined by shock compression of bridgmanite to 1254GPa.33563984 · Fei, Yingwei, Seagle, Christopher T, Townsend, Joshua P et al.2026 · 68 citationsNature communications. 2021;12(1):876
Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond.33187421 · Benali, Anouar, Gasperich, Kevin, Jordan, Kenneth D et al.2020 · 29 citationsThe Journal of chemical physics. 2020;153(18):184111
Towards a Systematic Improvement of the Fixed-Node Approximation in Diffusion Monte Carlo for Solids -- A Case Study In Diamond2007.11673v2 · Anouar Benali, Kevin Gasperich, Kenneth D. Jordan et al.2020 · 0 citationsarXiv
Systematic Comparison and Cross-validation of Fixed-Node Diffusion Monte Carlo and Phaseless Auxiliary-Field Quantum Monte Carlo in Solids2007.05587v1 · Fionn D. Malone, Anouar Benali, Miguel A. Morales et al.2020 · 26 citationsPhys. Rev. B 102, 161104 (2020)
Review of the First Charged-Particle Transport Coefficient Comparison Workshop2007.00744v2 · P. E. Grabowski, S. B. Hansen, M. S. Murillo et al.2020 · 84 citationsarXiv
A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions.31615226 · Wang, Guangming, Annaberdiyev, Abdulgani, Melton, Cody A et al.2019 · 53 citationsThe Journal of chemical physics. 2019;151(14):144110
Towards a systematically improvable many-body description of antiferromagnetic iron oxide1806.01383v2 · Joshua P Townsend, Raymond C Clay III, Thomas R Mattsson et al.2018 · 0 citationsarXiv
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.29582782 · Kim, Jeongnim, Baczewski, Andrew T, Beaudet, Todd D et al.2019 · 327 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2018;30(19):195901
A new generation of effective core potentials for correlated calculations.29246065 · Bennett, M Chandler, Melton, Cody A, Annaberdiyev, Abdulgani et al.2018 · 130 citationsThe Journal of chemical physics. 2017;147(22):224106
Embracing a new era of highly efficient and productive quantum Monte Carlo simulations1708.02645v1 · Amrita Mathuriya, Ye Luo, Raymond C. Clay III et al.2017 · 8 citationsarXiv
Optimization and parallelization of B-spline based orbital evaluations in QMC on multi/many-core shared memory processors1611.02665v1 · Amrita Mathuriya, Ye Luo, Anouar Benali et al.2016 · 7 citationsarXiv
Phase Stability of TiO Polymorphs from Diffusion Quantum Monte Carlo1607.07361v2 · Ye Luo, Anouar Benali, Luke Shulenburger et al.2016 · 80 citationsNew J. Phys. 18 (2016) 113049on Valency
Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magnéli phase.27334262 · Benali, Anouar, Shulenburger, Luke, Krogel, Jaron T et al.2018 · 32 citationsPhysical chemistry chemical physics : PCCP. 2016;18(27):18323-35
Benchmarking Adiabatic Quantum Optimization for Complex Network Analysis1604.00319v1 · Ojas Parekh, Jeremy Wendt, Luke Shulenburger et al.2016 · 26 citationsarXiv
X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition.27035307 · Baczewski, A D, Shulenburger, L, Desjarlais, M P et al.2016 · 118 citationsPhysical review letters. 2016;116(11):115004
The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus.26523860 · Shulenburger, L, Baczewski, A D, Zhu, Z et al.2016 · 300 citationsNano letters. 2015;15(12):8170-5
Shock Response and Phase Transitions of MgO at Planetary Impact Conditions.26588422 · Root, Seth, Shulenburger, Luke, Lemke, Raymond W et al.2016 · 101 citationsPhysical review letters. 2015;115(19):198501
Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium1501.03850v1 · Luke Shulenburger, Thomas R. Mattsson, M. P. Desjarlais2015 · 1 citationarXiv
Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions.26588310 · Benali, Anouar, Shulenburger, Luke, Romero, Nichols A et al.2015 · 78 citationsJournal of chemical theory and computation. 2014;10(8):3417-22
Equations of state and stability of MgSiO perovskite and post-perovskite phases from quantum Monte Carlo simulations1407.6070v2 · Yangzheng Lin, R. E. Cohen, Stephen Stackhouse et al.2014 · 17 citationsarXiv
Quantum Monte Carlo applied to solids1310.1047v1 · Luke Shulenburger, Thomas R. Mattsson2013 · 91 citationsarXiv
Theory of melting at high pressures: Amending Density Functional Theory with Quantum Monte Carlo1310.1049v1 · Luke Shulenburger, M. P. Desjarlais, T. R. Mattsson2013 · 18 citationsarXiv
Crystal structures of (Mg1-x,Fe(x))SiO3 postperovskite at high pressures.22223656 · Yamanaka, Takamitsu, Hirose, Kei, Mao, Wendy L et al.2012 · 18 citationsProceedings of the National Academy of Sciences of the United States of America. 2012;109(4):1035-40
Relative importance of crystal field versus bandwidth to the high pressure spin transition in transition metal monoxides0909.0325v2 · Luke Shulenburger, Sergey Y. Savrasov, R E Cohen2009 · 7 citationsarXiv
Correlation effects in quasi one dimensional electron wires0803.1211v2 · L. Shulenburger, M. Casula, G. Senatore et al.2008 · 45 citationsarXiv
Career total: 205 works. 27 are in this corpus.
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