Blas Pedro Uberuaga
Blas Pedro Uberuaga
Los Alamos National Laboratory
Verified email at buber.net
TitleCited byYear
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
89022000
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
7132010
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, 2007
3832007
Radiation damage tolerant nanomaterials
IJ Beyerlein, A Caro, MJ Demkowicz, NA Mara, A Misra, BP Uberuaga
Materials today 16 (11), 443-449, 2013
2472013
Defect-interface interactions
IJ Beyerlein, MJ Demkowicz, A Misra, BP Uberuaga
Progress in Materials Science 74, 125-210, 2015
2232015
Band-gap engineering for removing shallow traps in rare-earth Lu 3 Al 5 O 12 garnet scintillators using Ga 3+ doping
M Fasoli, A Vedda, M Nikl, C Jiang, BP Uberuaga, DA Andersson, ...
Physical Review B 84 (8), 081102, 2011
2182011
Cooperativity among defect sites in A O 2+ x and A 4 O 9 (A= U, Np, Pu): Density functional calculations
DA Andersson, J Lezama, BP Uberuaga, C Deo, SD Conradson
Physical Review B 79 (2), 024110, 2009
1432009
Vacancy-mediated dopant diffusion activation enthalpies for germanium
A Chroneos, H Bracht, RW Grimes, BP Uberuaga
Applied Physics Letters 92 (17), 172103, 2008
1412008
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
1362004
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 74 (12), 121102, 2006
1332006
Machine learning bandgaps of double perovskites
G Pilania, A Mannodi-Kanakkithodi, BP Uberuaga, R Ramprasad, ...
Scientific reports 6, 19375, 2016
1312016
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
1212012
U and Xe transport in UO: Density functional theory calculations
DA Andersson, BP Uberuaga, PV Nerikar, C Unal, CR Stanek
Physical review B 84 (5), 054105, 2011
1202011
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
1162009
Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics
Y Mishin, A Suzuki, BP Uberuaga, AF Voter
Physical Review B 75 (22), 224101, 2007
1162007
Direct transformation of vacancy voids to stacking fault tetrahedra
BP Uberuaga, RG Hoagland, AF Voter, SM Valone
Physical review letters 99 (13), 135501, 2007
1142007
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
1092004
First-principles prediction of disordering tendencies in pyrochlore oxides
C Jiang, CR Stanek, KE Sickafus, BP Uberuaga
Physical Review B 79 (10), 104203, 2009
1082009
The relationship between grain boundary structure, defect mobility, and grain boundary sink efficiency
BP Uberuaga, LJ Vernon, E Martinez, AF Voter
Scientific reports 5, 9095, 2015
922015
Diffusion of Ge below the Si (100) surface: theory and experiment
BP Uberuaga, M Leskovar, AP Smith, H Jónsson, M Olmstead
Physical review letters 84 (11), 2441, 2000
902000
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Articles 1–20