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Blas Pedro Uberuaga
Blas Pedro Uberuaga
Los Alamos National Laboratory
Bestätigte E-Mail-Adresse bei buber.net
Titel
Zitiert von
Zitiert von
Jahr
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman, BP Uberuaga, H Jónsson
The Journal of chemical physics 113 (22), 9901-9904, 2000
187462000
Efficient annealing of radiation damage near grain boundaries via interstitial emission
XM Bai, AF Voter, RG Hoagland, M Nastasi, BP Uberuaga
Science 327 (5973), 1631-1634, 2010
11172010
Radiation-induced amorphization resistance and radiation tolerance in structurally related oxides
KE Sickafus, RW Grimes, JA Valdez, A Cleave, M Tang, M Ishimaru, ...
Nature materials 6 (3), 217-223, 2007
5982007
Radiation damage tolerant nanomaterials
IJ Beyerlein, A Caro, MJ Demkowicz, NA Mara, A Misra, BP Uberuaga
Materials today 16 (11), 443-449, 2013
5372013
Defect-interface interactions
IJ Beyerlein, MJ Demkowicz, A Misra, BP Uberuaga
Progress in Materials Science 74, 125-210, 2015
5342015
Machine learning bandgaps of double perovskites
G Pilania, A Mannodi-Kanakkithodi, BP Uberuaga, R Ramprasad, ...
Scientific reports 6 (1), 19375, 2016
4652016
Band-gap engineering for removing shallow traps in rare-earth LuAlO garnet scintillators using Ga doping
M Fasoli, A Vedda, M Nikl, C Jiang, BP Uberuaga, DA Andersson, ...
Physical Review B—Condensed Matter and Materials Physics 84 (8), 081102, 2011
3612011
Synchronization of trajectories in canonical molecular-dynamics simulations: Observation, explanation, and exploitation
BP Uberuaga, M Anghel, AF Voter
The Journal of chemical physics 120 (14), 6363-6374, 2004
2652004
The relationship between grain boundary structure, defect mobility and grain boundary sink efficiency
BP Uberuaga, LJ Vernon, E Martinez, AF Voter
Scientific reports 5 (1), 9095, 2015
1952015
Cooperativity among defect sites in and : Density functional calculations
DA Andersson, J Lezama, BP Uberuaga, C Deo, SD Conradson
Physical Review B—Condensed Matter and Materials Physics 79 (2), 024110, 2009
1912009
Defect structure of flash‐sintered strontium titanate
A Karakuscu, M Cologna, D Yarotski, J Won, JSC Francis, R Raj, ...
Journal of the American Ceramic Society 95 (8), 2531-2536, 2012
1902012
Accelerated molecular dynamics methods: introduction and recent developments
D Perez, BP Uberuaga, Y Shim, JG Amar, AF Voter
Annual Reports in computational chemistry 5, 79-98, 2009
1902009
Direct transformation of vacancy voids to stacking fault tetrahedra
BP Uberuaga, RG Hoagland, AF Voter, SM Valone
Physical review letters 99 (13), 135501, 2007
1822007
U and Xe transport in UO: Density functional theory calculations
DA Andersson, BP Uberuaga, PV Nerikar, C Unal, CR Stanek
Physical Review B—Condensed Matter and Materials Physics 84 (5), 054105, 2011
1772011
First-principles prediction of disordering tendencies in pyrochlore oxides
C Jiang, CR Stanek, KE Sickafus, BP Uberuaga
Physical Review B—Condensed Matter and Materials Physics 79 (10), 104203, 2009
1712009
Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects
ER Batista, J Heyd, RG Hennig, BP Uberuaga, RL Martin, GE Scuseria, ...
Physical Review B—Condensed Matter and Materials Physics 74 (12), 121102, 2006
1682006
Vacancy-mediated dopant diffusion activation enthalpies for germanium
A Chroneos, H Bracht, RW Grimes, BP Uberuaga
Applied Physics Letters 92 (17), 2008
1652008
Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics
Y Mishin, A Suzuki, BP Uberuaga, AF Voter
Physical Review B—Condensed Matter and Materials Physics 75 (22), 224101, 2007
1422007
Role of atomic structure on grain boundary-defect interactions in Cu
XM Bai, LJ Vernon, RG Hoagland, AF Voter, M Nastasi, BP Uberuaga
Physical Review B—Condensed Matter and Materials Physics 85 (21), 214103, 2012
1352012
Structure and mobility of defects formed from collision cascades in MgO
BP Uberuaga, R Smith, AR Cleave, F Montalenti, G Henkelman, ...
Physical review letters 92 (11), 115505, 2004
1302004
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