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Page 1
Toward quantum Monte Carlo forces on heavier ions: Scaling properties.
J Chem Phys. 2021 May 28;154(20):204111. doi: 10.1063/5.0052266.
J Chem Phys. 2021.
PMID: 34241166
Water in an External Electric Field: Comparing Charge Distribution Methods Using ReaxFF Simulations.
Koski JP, Moore SG, Clay RC, O'Hearn KA, Aktulga HM, Wilson MA, Rackers JA, Lane JMD, Modine NA.
Koski JP, et al. Among authors: clay rc.
J Chem Theory Comput. 2022 Jan 11;18(1):580-594. doi: 10.1021/acs.jctc.1c00975. Epub 2021 Dec 16.
J Chem Theory Comput. 2022.
PMID: 34914383
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QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.
Kim J, Baczewski AT, Beaudet TD, Benali A, Bennett MC, Berrill MA, Blunt NS, Borda EJL, Casula M, Ceperley DM, Chiesa S, Clark BK, Clay RC, Delaney KT, Dewing M, Esler KP, Hao H, Heinonen O, Kent PRC, Krogel JT, Kylänpää I, Li YW, Lopez MG, Luo Y, Malone FD, Martin RM, Mathuriya A, McMinis J, Melton CA, Mitas L, Morales MA, Neuscamman E, Parker WD, Pineda Flores SD, Romero NA, Rubenstein BM, Shea JAR, Shin H, Shulenburger L, Tillack AF, Townsend JP, Tubman NM, Van Der Goetz B, Vincent JE, Yang DC, Yang Y, Zhang S, Zhao L.
Kim J, et al. Among authors: clay rc.
J Phys Condens Matter. 2018 May 16;30(19):195901. doi: 10.1088/1361-648X/aab9c3. Epub 2018 Mar 27.
J Phys Condens Matter. 2018.
PMID: 29582782
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Molecular to atomic phase transition in hydrogen under high pressure.
McMinis J, Clay RC, Lee D, Morales MA.
McMinis J, et al. Among authors: clay rc.
Phys Rev Lett. 2015 Mar 13;114(10):105305. doi: 10.1103/PhysRevLett.114.105305. Epub 2015 Mar 13.
Phys Rev Lett. 2015.
PMID: 25815944
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Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo.
Clay RC 3rd, Morales MA.
Clay RC 3rd, et al.
J Chem Phys. 2015 Jun 21;142(23):234103. doi: 10.1063/1.4921984.
J Chem Phys. 2015.
PMID: 26093546
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