Lubos Mitas - Publications

Affiliations: 
North Carolina State University, Raleigh, NC 
Area:
General Physics, Agricultural Engineering, Environmental Sciences, Hydrology, Geophysics
Website:
http://altair.physics.ncsu.edu/cv.html

78 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 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, et al. QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo. The Journal of Chemical Physics. 152: 174105. PMID 32384844 DOI: 10.1063/5.0004860  1
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, ... ... Mitas 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  1
2016 Melton CA, Zhu M, Guo S, Ambrosetti A, Pederiva F, Mitas L. Spin-orbit interactions in electronic structure quantum Monte Carlo methods Physical Review a - Atomic, Molecular, and Optical Physics. 93. DOI: 10.1103/Physreva.93.042502  1
2016 Tokár K, Derian R, Mitas L, Štich I. Charged vanadium-benzene multidecker clusters: DFT and quantum Monte Carlo study Journal of Chemical Physics. 144. DOI: 10.1063/1.4941085  1
2016 Niu Q, Dinan J, Tirukkovalur S, Benali A, Kim J, Mitas L, Wagner L, Sadayappan P. Global-view coefficients: A data management solution for parallel quantum Monte Carlo applications Concurrency Computation. DOI: 10.1002/Cpe.3748  1
2015 Rasch KM, Mitas L. Fixed-node diffusion Monte Carlo method for lithium systems Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.045122  1
2015 Ambrosetti A, Silvestrelli PL, Pederiva F, Mitas L, Toigo F. Repulsive atomic Fermi gas with Rashba spin-orbit coupling: A quantum Monte Carlo study Physical Review a - Atomic, Molecular, and Optical Physics. 91. DOI: 10.1103/Physreva.91.053622  1
2014 Rasch KM, Hu S, Mitas L. Communication: fixed-node errors in quantum Monte Carlo: interplay of electron density and node nonlinearities. The Journal of Chemical Physics. 140: 041102. PMID 25669493 DOI: 10.1063/1.4862496  1
2014 Horváthová L, Derian R, Mitas L, Štich I. Quantum Monte Carlo study of one-dimensional transition-metal organometallic cluster systems and their suitability as spin filters Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.115414  1
2014 Kulahlioglu AH, Rasch K, Hu S, Mitas L. Density dependence of fixed-node errors in diffusion quantum Monte Carlo: Triplet pair correlations Chemical Physics Letters. 591: 170-174. DOI: 10.1016/J.Cplett.2013.11.033  1
2014 Kulahlioglu AH, Mitas L. A quantum Monte Carlo study of zinc-porphyrin: Vertical excitation between the singlet ground state and the lowest-lying singlet excited state Computational and Theoretical Chemistry. 1046: 6-9. DOI: 10.1016/J.Comptc.2014.07.006  1
2013 Guo S, Bajdich M, Mitas L, Reynolds PJ. Study of dipole moments of LiSr and KRb molecules by quantum Monte Carlo methods Molecular Physics. 111: 1744-1752. DOI: 10.1080/00268976.2013.788741  1
2013 Horváthová L, Dubecký M, Mitas L, Štich I. Quantum monte carlo study of π-bonded transition metal organometallics: Neutral and cationic vanadium-benzene and cobalt-benzene half sandwiches Journal of Chemical Theory and Computation. 9: 390-400. DOI: 10.1021/Ct300887T  1
2013 Zhu M, Mitas L. Study of Ne-core and He-core pseudopotential errors in the MnO molecule: Quantum Monte Carlo benchmark Chemical Physics Letters. 572: 136-140. DOI: 10.1016/J.Cplett.2013.04.006  1
2012 Niu Q, Dinan J, Tirukkovalur S, Mitas L, Wagner L, Sadayappan P. A global address space approach to automated data management for parallel Quantum Monte Carlo applications 2012 19th International Conference On High Performance Computing, Hipc 2012. DOI: 10.1109/HiPC.2012.6507509  1
2012 Horváthová L, Dubecký M, Mitas L, Atich I. Spin multiplicity and symmetry breaking in vanadium-benzene complexes Physical Review Letters. 109. DOI: 10.1103/Physrevlett.109.053001  1
2012 Ambrosetti A, Silvestrelli PL, Toigo F, Mitas L, Pederiva F. Variational Monte Carlo for spin-orbit interacting systems Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.045115  1
2012 Ambrosetti A, Pederiva F, Lipparini E, Mitas L. Quantum monte carlo in presence of spin-orbit interaction Acs Symposium Series. 1094: 119-130. DOI: 10.1021/bk-2012-1094.ch010  1
2012 Hu S, Rasch K, Mitas L. Many-body nodal hypersurface and domain averages for correlated wave functions Acs Symposium Series. 1094: 77-87. DOI: 10.1021/bk-2012-1094.ch007  1
2012 Rasch KM, Mitas L. Impact of electron density on the fixed-node errors in Quantum Monte Carlo of atomic systems Chemical Physics Letters. 528: 59-62. DOI: 10.1016/J.Cplett.2012.01.016  1
2011 Li X, Kolorenč J, Mitas L. Atomic Fermi gas in the unitary limit by quantum Monte Carlo methods: Effects of the interaction range Physical Review a - Atomic, Molecular, and Optical Physics. 84. DOI: 10.1103/Physreva.84.023615  1
2011 Bour S, Li X, Lee D, Meißner UG, Mitas L. Precision benchmark calculations for four particles at unitarity Physical Review a - Atomic, Molecular, and Optical Physics. 83. DOI: 10.1103/Physreva.83.063619  1
2011 Kolorenč J, Mitas L. Applications of quantum Monte Carlo methods in condensed systems Reports On Progress in Physics. 74. DOI: 10.1088/0034-4885/74/2/026502  1
2010 Mitas L, Kolorenč J. Quantum Monte Carlo studies of transition metal oxides Reviews in Mineralogy and Geochemistry. 71: 137-145. DOI: 10.2138/Rmg.2010.71.7  1
2010 Kolorenč J, Hu S, Mitas L. Wave functions for quantum Monte Carlo calculations in solids: Orbitals from density functional theory with hybrid exchange-correlation functionals Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.115108  1
2010 Dubecký M, Derian R, Mitas L, Štich I. Ground and excited electronic states of azobenzene: A quantum Monte Carlo study Journal of Chemical Physics. 133. DOI: 10.1063/1.3506028  1
2010 Kolorenč J, Mitas L. Electronic structure of solid FeO at high pressures by quantum Monte Carlo methods Physics Procedia. 3: 1437-1441. DOI: 10.1016/J.Phpro.2010.01.203  1
2010 Bajdich M, Kolorenč J, Mitas L, Reynolds PJ. Pairing in Cold Atoms and other Applications for Quantum Monte Carlo methods Physics Procedia. 3: 1397-1410. DOI: 10.1016/J.Phpro.2010.01.199  1
2009 Kino H, Wagner LK, Mitas L. Theoretical study of electronic and atomic structures of (MnO)n Journal of Computational and Theoretical Nanoscience. 6: 2583-2588. DOI: 10.1166/Jctn.2009.1318  1
2009 Wagner LK, Bajdich M, Mitas L. QWalk: A quantum Monte Carlo program for electronic structure Journal of Computational Physics. 228: 3390-3404. DOI: 10.1016/J.Jcp.2009.01.017  1
2009 Lester WA, Mitas L, Hammond B. Quantum Monte Carlo for atoms, molecules and solids Chemical Physics Letters. 478: 1-10. DOI: 10.1016/J.Cplett.2009.06.095  1
2009 Bajdich M, Mitas L. Electronic structure quantum Monte Carlo Acta Physica Slovaca. 59: 81-168.  1
2008 Bajdich M, Mitas L, Wagner LK, Schmidt KE. Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.115112  1
2008 Esler KP, Kim J, Ceperley DM, Purwanto W, Walter EJ, Krakauer H, Zhang S, Kent PRC, Hennig G, Umrigar C, Bajdich M, Koloren? J, Mitas L, Srinivasan A. Quantum Monte Carlo algorithms for electronic structure at the petascale; The Endstation project Journal of Physics: Conference Series. 125. DOI: 10.1088/1742-6596/125/1/012057  1
2008 Krčmár R, Gendiar A, Moško M, Németh R, Vagner P, Mitas L. Persistent current of correlated electrons in mesoscopic ring with impurity Physica E: Low-Dimensional Systems and Nanostructures. 40: 1507-1509. DOI: 10.1016/J.Physe.2007.09.074  1
2008 Nayfeh MH, Mitas L. Silicon Nanoparticles. New Photonic and Electronic Material at the Transition Between Solid and Molecule Nanosilicon. 1-78. DOI: 10.1016/B978-008044528-1.50002-6  1
2007 Wagner LK, Mitas L. Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo. The Journal of Chemical Physics. 126: 034105. PMID 17249863 DOI: 10.1063/1.2428294  0.44
2007 Kolorenč J, Mitas L. B1 -to- B8 structural phase transition in MnO under pressure: Comparison of all-electron and pseudopotential approaches Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.235118  1
2006 Mitasova H, Mitas L, Ratti C, Ishii H, Alonso J, Harmon RS. Real-time landscape model interaction using a tangible geospatial modeling environment. Ieee Computer Graphics and Applications. 26: 55-63. PMID 16863098 DOI: 10.1109/Mcg.2006.87  1
2006 Bajdich M, Mitas L, Drobný G, Wagner LK, Schmidt KE. Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations. Physical Review Letters. 96: 130201. PMID 16711968 DOI: 10.1103/Physrevlett.96.130201  1
2006 Vagner P, Moško M, Németh R, Wagner L, Mitas L. Hartree-Fock versus quantum Monte Carlo study of persistent current in a one-dimensional ring with single scatterer Physica E: Low-Dimensional Systems and Nanostructures. 32: 350-353. DOI: 10.1016/J.Physe.2005.12.062  1
2005 Grossman JC, Mitas L. Efficient quantum monte carlo energies for molecular dynamics simulations. Physical Review Letters. 94: 056403. PMID 15783668 DOI: 10.1103/Physrevlett.94.056403  1
2005 Mitasova H, Mitas L, Harmon RS. Simultaneous spline approximation and topographic analysis for lidar elevation data in open-source GIS Ieee Geoscience and Remote Sensing Letters. 2: 375-379. DOI: 10.1109/Lgrs.2005.848533  1
2005 Bajdich M, Mitas L, Drobný G, Wagner LK. Approximate and exact nodes of fermionic wavefunctions: Coordinate transformations and topologies Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.075131  1
2004 Mitasova H, Thaxton C, Hofierka J, McLaughlin R, Moore A, Mitas L. Path sampling method for modeling overland water flow, sediment transport, and short term terrain evolution in Open Source GIS Developments in Water Science. 55: 1479-1490. DOI: 10.1016/S0167-5648(04)80159-X  1
2004 Thaxton CS, Mitasova H, Mitas L, McLaughlin R. Simulations of distributed watershed erosion, deposition, and terrain evolution using a path sampling Monte Carlo method Asae Annual International Meeting 2004. 2069-2082.  1
2003 Sen P, Mitas L. Electronic structure and ground states of transition metals encapsulated in a Si12 hexagonal prism cage Physical Review B - Condensed Matter and Materials Physics. 68: 1554041-1554044. DOI: 10.1103/Physrevb.68.155404  1
2003 Harkless JAW, Rodriguez JH, Mitas L, Lester WA. A quantum Monte Carlo and density functional theory study of the electronic structure of peroxynitrite anion Journal of Chemical Physics. 118: 4987-4992. DOI: 10.1063/1.1544732  1
2003 Wagner L, Mitas L. A quantum Monte Carlo study of electron correlation in transition metal oxygen molecules Chemical Physics Letters. 370: 412-417. DOI: 10.1016/S0009-2614(03)00128-3  1
2002 Mitas L. Quantum Monte Carlo methods for electronic structure of nanosystems Israel Journal of Chemistry. 42: 261-268. DOI: 10.1560/Qrwb-75Nv-Mel1-D124  1
2002 Belomoin G, Therrien J, Smith A, Rao S, Twesten R, Chaieb S, Nayfeh MH, Wagner L, Mitas L. Magic family of discretely sized ultrabright SI nanoparticles Materials Research Society Symposium - Proceedings. 703: 475-480. DOI: 10.1557/Proc-703-V11.4  1
2002 Hofierka J, Mitasova H, Parajka J, Mitas L. Multivariate interpolation of precipitation using regularized spline with tension Transactions in Gis. 6: 135-150. DOI: 10.1111/1467-9671.00101  1
2002 Belomoin G, Rogozhina E, Therrien J, Braun PV, Abuhassan L, Nayfeh MH, Wagner LK, Mitas L. Effects of surface termination on the band gap of ultrabright Si29 nanoparticles: Experiments and computational models Physical Review B. 65: 1934061-1934064. DOI: 10.1103/Physrevb.65.193406  0.44
2002 Belomoin G, Therrien J, Smith A, Rao S, Twesten R, Chaieb S, Nayfeh MH, Wagner L, Mitas L. Observation of a magic discrete family of ultrabright Si nanoparticles Applied Physics Letters. 80: 841-843. DOI: 10.1063/1.1435802  1
2002 Bokes P, Štich I, Mitas L. Ground-state reconstruction of the Si(0 0 1) surface: Symmetric versus buckled dimers Chemical Physics Letters. 362: 559-566. DOI: 10.1016/S0009-2614(02)01081-3  1
2002 Belomoin G, Rogozhina E, Therrien J, Braun PV, Abuhassan L, Nayfeh MH, Wagner L, Mitas L. Effects of surface termination on the band gap of ultrabright Si29 nanoparticles: Experiments and computational models Physical Review B - Condensed Matter and Materials Physics. 65: 1934061-1934064.  1
2001 Grossman JC, Rohlfing M, Mitas L, Louie SG, Cohen ML. High accuracy many-body calculational approaches for excitations in molecules. Physical Review Letters. 86: 472-5. PMID 11177858 DOI: 10.1103/Physrevlett.86.472  1
2001 Foulkes WMC, Mitas L, Needs RJ, Rajagopal G. Quantum Monte Carlo simulations of solids Reviews of Modern Physics. 73: 33-83. DOI: 10.1103/Revmodphys.73.33  1
2001 Mitas L, Therrien J, Twesten R, Belomoin G, Nayfeh MH. Effect of surface reconstruction on the structural prototypes of ultrasmall ultrabright Si29 nanoparticles Applied Physics Letters. 78: 1918-1920. DOI: 10.1063/1.1356447  1
2001 Bokes P, Štich I, Mitas L. Electron correlation effects in ionic hydrogen clusters International Journal of Quantum Chemistry. 83: 86-95. DOI: 10.1002/Qua.1061  1
2000 Mitas L, Grossman JC, Stich I, Tobik J. Silicon clusters of intermediate size: energetics, dynamics, and thermal effects Physical Review Letters. 84: 1479-82. PMID 11017547 DOI: 10.1103/Physrevlett.84.1479  1
2000 Torelli T, Mitas L. Electron correlation in C(4N+2) carbon rings: aromatic versus dimerized structures Physical Review Letters. 85: 1702-5. PMID 10970593 DOI: 10.1103/Physrevlett.85.1702  1
2000 Torelli T, Mitas L. Recent developments in the quantum Monte Carlo method: Evaluation of interatomic forces Progress of Theoretical Physics Supplement. 78-83. DOI: 10.1143/Ptps.138.78  1
1998 Mitas L, Mitasova H. Distributed soil erosion simulation for effective erosion prevention Water Resources Research. 34: 505-516. DOI: 10.1029/97Wr03347  1
1998 Mitas L, Mitasova H. Multi-scale Green's function Monte Carlo approach to erosion modelling and its application to land-use optimization Modelling Soil Erosion, Sediment Transport and Closely Related Hydrological Processes. 81-90.  1
1997 Grossman JC, Mitas L. High accuracy molecular heats of formation and reaction barriers: Essential role of electron correlation Physical Review Letters. 79: 4353-4356. DOI: 10.1103/Physrevlett.79.4353  1
1997 Mitas L. Electronic structure calculations by quantum Monte Carlo methods Physica B: Condensed Matter. 237: 318-320. DOI: 10.1016/S0921-4526(97)00193-2  1
1997 Mitas L, Brown WM, Mitasova H. Role of dynamic cartography in simulations of landscape processes based on multivariate fields Computers and Geosciences. 23: 437-446. DOI: 10.1016/S0098-3004(97)00007-1  1
1996 Grossman JC, Mitas L, Raghavachari K. Structure and Stability of Molecular Carbon: Importance of Electron Correlation [Phys. Rev. Lett. 75, 3870 (1995)] Physical Review Letters. 76: 1006. DOI: 10.1103/Physrevlett.76.1006  1
1996 Mitas L. Electronic structure by quantum Monte Carlo: Atoms, molecules and solids Computer Physics Communications. 96: 107-117. DOI: 10.1016/0010-4655(96)00063-X  1
1996 Ceperley DM, Mitas L. Quantum Monte Carlo methods in chemistry Advances in Chemical Physics. 93: 1-38. DOI: 10.1002/9780470141526.Ch1  1
1995 Grossman JC, Mitas L, Raghavachari K. Structure and stability of molecular carbon: Importance of electron correlation. Physical Review Letters. 75: 3870-3873. PMID 10059752 DOI: 10.1103/Physrevlett.75.3870  1
1995 Grossman JC, Mitás L. Quantum Monte Carlo determination of electronic and structural properties of Sin clusters (n <= 20). Physical Review Letters. 74: 1323-1326. PMID 10058991 DOI: 10.1103/Physrevlett.74.1323  1
1995 Grossman JC, Mitás L. Family of low-energy elongated Sin (n <= 50) clusters. Physical Review. B, Condensed Matter. 52: 16735-16738. PMID 9981077 DOI: 10.1103/Physrevb.52.16735  1
1995 Mitasova H, Mitas L, Brown WM, Gerdes DP, Kosinovsky R, Baker T. Modelling spatially and temporally distributed phenomena: New methods and tools for GRASS GIS International Journal of Geographical Information Systems. 9: 433-446. DOI: 10.1080/02693799508902048  1
1994 Mitás L, Martin RM. Quantum Monte Carlo of nitrogen: Atom, dimer, atomic, and molecular solids. Physical Review Letters. 72: 2438-2441. PMID 10055880 DOI: 10.1103/Physrevlett.72.2438  0.84
1991 Shirley EL, Mitás L, Martin RM. Core-valence partitioning and quasiparticle pseudopotentials. Physical Review. B, Condensed Matter. 44: 3395-3398. PMID 9999951 DOI: 10.1103/Physrevb.44.3395  0.84
1991 Mitáš L, Shirley EL, Ceperley DM. Nonlocal pseudopotentials and diffusion Monte Carlo The Journal of Chemical Physics. 95: 3467-3475. DOI: 10.1063/1.460849  1
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