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
20485 2000 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
1158 2010 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
618 2007 Defect-interface interactions IJ Beyerlein, MJ Demkowicz, A Misra, BP Uberuaga
Progress in Materials Science 74, 125-210, 2015
579 2015 Radiation damage tolerant nanomaterials IJ Beyerlein, A Caro, MJ Demkowicz, NA Mara, A Misra, BP Uberuaga
Materials today 16 (11), 443-449, 2013
569 2013 Machine learning bandgaps of double perovskites G Pilania, A Mannodi-Kanakkithodi, BP Uberuaga, R Ramprasad, ...
Scientific reports 6 (1), 19375, 2016
494 2016 Band-gap engineering for removing shallow traps in rare-earth Lu M Fasoli, A Vedda, M Nikl, C Jiang, BP Uberuaga, DA Andersson, ...
Physical Review B—Condensed Matter and Materials Physics 84 (8), 081102, 2011
369 2011 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
279 2004 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
214 2009 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
209 2015 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
198 2012 Cooperativity among defect sites in DA Andersson, J Lezama, BP Uberuaga, C Deo, SD Conradson
Physical Review B—Condensed Matter and Materials Physics 79 (2), 024110, 2009
195 2009 Direct transformation of vacancy voids to stacking fault tetrahedra BP Uberuaga, RG Hoagland, AF Voter, SM Valone
Physical review letters 99 (13), 135501, 2007
191 2007 U and Xe transport in UO DA Andersson, BP Uberuaga, PV Nerikar, C Unal, CR Stanek
Physical Review B—Condensed Matter and Materials Physics 84 (5), 054105, 2011
189 2011 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
169 2009 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
168 2006 Vacancy-mediated dopant diffusion activation enthalpies for germanium A Chroneos, H Bracht, RW Grimes, BP Uberuaga
Applied Physics Letters 92 (17), 2008
167 2008 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
147 2007 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
142 2012 Atomistic modeling of intrinsic and radiation-enhanced fission gas (Xe) diffusion in UO2±x: Implications for nuclear fuel performance modeling DA Andersson, P Garcia, XY Liu, G Pastore, M Tonks, P Millett, B Dorado, ...
Journal of Nuclear Materials 451 (1-3), 225-242, 2014
141 2014 
C.R. StanekLos Alamos National Laboratoryبريد إلكتروني تم التحقق منه على lanl.gov