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Top Articles

#TitleJournalYearCitations
1Optimization of ionic conductivity in doped ceriaProceedings of the National Academy of Sciences of the United States of America2006464
2Stainless steel optimization from quantum mechanical calculationsNature Materials2003254
3Ab initiocalculations of elastic properties of bcc Fe-Mg and Fe-Cr random alloysPhysical Review B200973
4Thermal surface free energy and stress of ironScientific Reports201566
5Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer grapheneScientific Reports201545
6Stability in bcc Transition Metals: Madelung and Band-Energy Effects due to AlloyingPhysical Review Letters200938
7(2×1)and(2×4)reconstructions">Bismuth-stabilized(2×1)and(2×4)reconstructionsPhysical Review B200836
8Higher-order symplectic integration in Born–Oppenheimer molecular dynamicsJournal of Chemical Physics200933
9Ab initiostudy of the elastic anomalies in Pd-Ag alloysPhysical Review B200929
10Large magnetoelastic effects in paramagnetic stainless steels from first principlesPhysical Review B200925
116dtransition metals">First-principles calculation of the structural stability of6dtransition metalsPhysical Review B201125
12Dynamic compression of dense oxide (Gd3Ga5O12) from 0.4 to 2.6 TPa: Universal Hugoniot of fluid metalsScientific Reports201616
13CunCoCunheterostructures">Transmission through correlatedCunCoCunheterostructuresPhysical Review B201515
14Ab initiostudy of the phase stability in paramagnetic duplex steel alloysPhysical Review B200914
15One-particle spectral function and analytic continuation for many-body implementation in the exact muffin-tin orbitals methodPhysical Review B201214
16Influence of global magnetic state on chemical interactions in high-pressure high-temperature synthesis of B2 Fe2SiApplied Physics Letters20098
17Alloying-driven phase stability in group-VB transition metals under compressionPhysical Review B20108
18Analytic continuation-free Green's function approach to correlated electronic structure calculationsPhysical Review B20178
19Correlated electronic structure with uncorrelated disorderPhysical Review B20186
20Ab initio typical medium theory of substitutional disorderPhysical Review B20205
21Theoretical prediction of the Cmca phase in Ge under high pressureJournal of Applied Physics20014
22Elastic anharmonicity of bcc Fe and Fe-based random alloys from first-principles calculationsPhysical Review B20174