Year |
Citation |
Score |
2019 |
Wang G, Annaberdiyev A, Melton CA, Bennett MC, Shulenburger L, Mitas L. A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions. The Journal of Chemical Physics. 151: 144110. PMID 31615226 DOI: 10.1063/1.5121006 |
0.619 |
|
2019 |
Clay RC, Desjarlais MP, Shulenburger L. Deuterium Hugoniot: Pitfalls of thermodynamic sampling beyond density functional theory Physical Review B. 100. DOI: 10.1103/Physrevb.100.075103 |
0.305 |
|
2018 |
Annaberdiyev A, Wang G, Melton CA, Chandler Bennett M, Shulenburger L, Mitas L. A new generation of effective core potentials from correlated calculations: 3d transition metal series. The Journal of Chemical Physics. 149: 134108. PMID 30292197 DOI: 10.1063/1.5040472 |
0.663 |
|
2018 |
Bennett MC, Wang G, Annaberdiyev A, Melton CA, Shulenburger L, Mitas L. A new generation of effective core potentials from correlated calculations: 2nd row elements. The Journal of Chemical Physics. 149: 104108. PMID 30219005 DOI: 10.1063/1.5038135 |
0.633 |
|
2018 |
Luo Y, Esler KP, Kent PRC, Shulenburger L. An efficient hybrid orbital representation for quantum Monte Carlo calculations. The Journal of Chemical Physics. 149: 084107. PMID 30193505 DOI: 10.1063/1.5037094 |
0.413 |
|
2018 |
Kim J, Baczewski A, Beaudet T, Benali A, Bennett C, Berrill M, Blunt N, Borda EJL, Casula M, Ceperley D, Chiesa S, Clark BK, Clay R, Delaney K, Dewing M, ... ... Shulenburger L, et al. QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29582782 DOI: 10.1088/1361-648X/Aab9C3 |
0.626 |
|
2018 |
Furnish MD, Shulenburger L, Desjarlais M, Fei Y. Recent research on stishovite: Hugoniot and partial release Z experiments and DFT EOS calculations Bulletin of the American Physical Society. DOI: 10.2172/1434410 |
0.328 |
|
2017 |
Bennett MC, Melton CA, Annaberdiyev A, Wang G, Shulenburger L, Mitas L. A new generation of effective core potentials for correlated calculations. The Journal of Chemical Physics. 147: 224106. PMID 29246065 DOI: 10.1063/1.4995643 |
0.664 |
|
2016 |
Benali A, Shulenburger L, Krogel JT, Zhong X, Kent PR, Heinonen O. Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magnéli phase. Physical Chemistry Chemical Physics : Pccp. PMID 27334262 DOI: 10.1039/C6Cp02067D |
0.46 |
|
2016 |
Baczewski AD, Shulenburger L, Desjarlais MP, Hansen SB, Magyar RJ. X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition. Physical Review Letters. 116: 115004. PMID 27035307 DOI: 10.1103/Physrevlett.116.115004 |
0.423 |
|
2016 |
Nazarov R, Shulenburger L, Morales M, Hood RQ. Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.094111 |
0.436 |
|
2016 |
Luo Y, Benali A, Shulenburger L, Krogel JT, Heinonen O, Kent PRC. Phase stability of TiO2 polymorphs from diffusion Quantum Monte Carlo New Journal of Physics. 18: 113049. DOI: 10.1088/1367-2630/18/11/113049 |
0.35 |
|
2016 |
Davis J, Knudson MD, Shulenburger L, Crockett SD. Mechanical and optical response of [100] lithium fluoride to multi-megabar dynamic pressures Journal of Applied Physics. 120: 165901. DOI: 10.1063/1.4965869 |
0.378 |
|
2016 |
Magyar RJ, Shulenburger L, Baczewski AD. Stopping of Deuterium in Warm Dense Deuterium from Ehrenfest Time-Dependent Density Functional Theory Contributions to Plasma Physics. 56: 459-466. DOI: 10.1002/Ctpp.201500143 |
0.4 |
|
2015 |
Root S, Shulenburger L, Lemke RW, Dolan DH, Mattsson TR, Desjarlais MP. Shock Response and Phase Transitions of MgO at Planetary Impact Conditions. Physical Review Letters. 115: 198501. PMID 26588422 DOI: 10.1103/Physrevlett.115.198501 |
0.401 |
|
2015 |
Shulenburger L, Baczewski AD, Zhu Z, Guan J, Tománek D. The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus. Nano Letters. PMID 26523860 DOI: 10.1021/Acs.Nanolett.5B03615 |
0.437 |
|
2015 |
Spataru CD, Shulenburger L, Benedict LX. Ab initio many-body Green's function calculations of optical properties of LiF at high pressures Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.245117 |
0.365 |
|
2014 |
Benali A, Shulenburger L, Romero NA, Kim J, von Lilienfeld OA. Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions. Journal of Chemical Theory and Computation. 10: 3417-22. PMID 26588310 DOI: 10.1021/Ct5003225 |
0.707 |
|
2014 |
Mattsson TR, Root S, Mattsson AE, Shulenburger L, Magyar RJ, Flicker DG. Validating density-functional theory simulations at high energy-density conditions with liquid krypton shock experiments to 850 GPa on Sandia's Z machine Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.184105 |
0.473 |
|
2014 |
Lin Y, Cohen RE, Stackhouse S, Driver KP, Militzer B, Shulenburger L, Kim J. Equations of state and stability of MgSiO3 perovskite and post-perovskite phases from quantum Monte Carlo simulations Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.184103 |
0.681 |
|
2014 |
Shulenburger L, Desjarlais MP, Mattsson TR. Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo Physical Review B. 90: 140104. DOI: 10.1103/Physrevb.90.140104 |
0.466 |
|
2013 |
Shulenburger L, Mattsson TR. Quantum Monte Carlo applied to solids Physical Review B. 88. DOI: 10.1103/Physrevb.88.245117 |
0.51 |
|
2012 |
Yamanaka T, Hirose K, Mao WL, Meng Y, Ganesh P, Shulenburger L, Shen G, Hemley RJ. Crystal structures of (Mg1-x,Fe(x))SiO3 postperovskite at high pressures. Proceedings of the National Academy of Sciences of the United States of America. 109: 1035-40. PMID 22223656 DOI: 10.1073/Pnas.1118076108 |
0.565 |
|
2010 |
Shulenburger L, Savrasov SY, Cohen RE. Relative importance of crystal field versus bandwidth to the high pressure spin transition in transition metal monoxides Journal of Physics: Conference Series. 215. DOI: 10.1088/1742-6596/215/1/012122 |
0.484 |
|
2009 |
Shulenburger L, Casula M, Senatore G, Martin RM. Spin resolved energy parametrization of a quasi-one-dimensional electron gas Journal of Physics A. 42: 214021. DOI: 10.1088/1751-8113/42/21/214021 |
0.432 |
|
2008 |
Shulenburger L, Casula M, Senatore G, Martin RM. Correlation effects in quasi-one-dimensional quantum wires Physical Review B. 78: 165303. DOI: 10.1103/Physrevb.78.165303 |
0.56 |
|
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