Blas Pedro Uberuaga
Blas Pedro Uberuaga
Los Alamos National Laboratory
Подтвержден адрес электронной почты в домене buber.net
Название
Процитировано
Процитировано
Год
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
111652000
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
8332010
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
4502007
Radiation damage tolerant nanomaterials
IJ Beyerlein, A Caro, MJ Demkowicz, NA Mara, A Misra, BP Uberuaga
Materials today 16 (11), 443-449, 2013
3282013
Defect-interface interactions
IJ Beyerlein, MJ Demkowicz, A Misra, BP Uberuaga
Progress in Materials Science 74, 125-210, 2015
3122015
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
2522011
Machine learning bandgaps of double perovskites
G Pilania, A Mannodi-Kanakkithodi, BP Uberuaga, R Ramprasad, ...
Scientific reports 6 (1), 1-10, 2016
2262016
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
1712004
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
1532009
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
1522009
Vacancy-mediated dopant diffusion activation enthalpies for germanium
A Chroneos, H Bracht, RW Grimes, BP Uberuaga
Applied Physics Letters 92 (17), 172103, 2008
1522008
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
1432006
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
1392012
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
1342011
First-principles prediction of disordering tendencies in pyrochlore oxides
C Jiang, CR Stanek, KE Sickafus, BP Uberuaga
Physical Review B 79 (10), 104203, 2009
1342009
Direct transformation of vacancy voids to stacking fault tetrahedra
BP Uberuaga, RG Hoagland, AF Voter, SM Valone
Physical review letters 99 (13), 135501, 2007
1342007
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
1282007
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
1202004
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), 1-9, 2015
1162015
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
1002000
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Статьи 1–20