Miguel Morales

Title(s)Administrative Manager, Ob/Gyn & Reproductive sciences
SchoolVc-health Sciences-schools
Address9500 Gilman Drive #
La Jolla CA 92093
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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help. to make corrections and additions.
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    1. A phaseless auxiliary-field quantum Monte Carlo perspective on the uniform electron gas at finite temperatures: Issues, observations, and benchmark study. J Chem Phys. 2021 Feb 14; 154(6):064109. Lee J, Morales MA, Malone FD. PMID: 33588535.
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    2. Accelerating the convergence of auxiliary-field quantum Monte Carlo in solids with optimized Gaussian basis sets. J Chem Phys. 2020 Nov 21; 153(19):194111. Morales MA, Malone FD. PMID: 33218252.
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    3. QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo. J Chem Phys. 2020 May 07; 152(17):174105. Kent PRC, Annaberdiyev A, Benali A, Bennett MC, Landinez Borda EJ, Doak P, Hao H, Jordan KD, Krogel JT, Kylänpää I, Lee J, Luo Y, Malone FD, Melton CA, Mitas L, Morales MA, Neuscamman E, Reboredo FA, Rubenstein B, Saritas K, Upadhyay S, Wang G, Zhang S, Zhao L. PMID: 32384844.
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    4. Non-orthogonal multi-Slater determinant expansions in auxiliary field quantum Monte Carlo. J Chem Phys. 2019 Feb 21; 150(7):074105. Landinez Borda EJ, Gomez J, Morales MA. PMID: 30795651.
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    5. Auxiliary-field quantum Monte Carlo calculations of the structural properties of nickel oxide. J Chem Phys. 2018 Oct 28; 149(16):164102. Zhang S, Malone FD, Morales MA. PMID: 30384739.
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    6. Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals. J Chem Phys. 2018 Mar 14; 148(10):102314. Rillo G, Morales MA, Ceperley DM, Pierleoni C. PMID: 29544324.
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    7. On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice. J Chem Phys. 2016 Nov 21; 145(19):194504. Reddy SK, Straight SC, Bajaj P, Huy Pham C, Riera M, Moberg DR, Morales MA, Knight C, Götz AW, Paesani F. PMID: 27875875.
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    8. Exploring the free energy surface using ab initio molecular dynamics. J Chem Phys. 2016 Apr 28; 144(16):164101. Samanta A, Morales MA, Schwegler E. PMID: 27131525.
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    9. The transition to the metallic state in low density hydrogen. J Chem Phys. 2015 Nov 21; 143(19):194703. McMinis J, Morales MA, Ceperley DM, Kim J. PMID: 26590549.
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    10. On the representation of many-body interactions in water. J Chem Phys. 2015 Sep 14; 143(10):104102. Medders GR, Götz AW, Morales MA, Bajaj P, Paesani F. PMID: 26374013.
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    11. Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo. J Chem Phys. 2015 Jun 21; 142(23):234103. Clay RC, Morales MA. PMID: 26093546.
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    12. Computing the energy of a water molecule using multideterminants: a simple, efficient algorithm. J Chem Phys. 2011 Dec 28; 135(24):244105. Clark BK, Morales MA, McMinis J, Kim J, Scuseria GE. PMID: 22225142.
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