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Top items for Zarkevich, Nikolai

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Nudged-elastic band method with two climbing images: Finding transition states in complex energy landscapes 1,011
neb.F (source code) 475
Stable atomic structure of NiTi austenite 452
Anisotropic thermal expansion in molecular solids: Theory and experiment on LiBH4 431
Thermal stability of MnBi magnetic materials 338
C2-NEB: The Nudged Elastic Band Method with Two Climbing Images, Validated on the Martensitic Transformation in NiTi Shape Memory Alloy 320
Shape-Memory Transformations of NiTi: Minimum-Energy Pathways between Austenite, Martensites, and Kinetically Limited Intermediate States 281
ThermoPhonon 230
High-throughput search for caloric materials: the CaloriCool approach 223
Magneto-structural transformations via a solid-state nudged elastic band method: Application to iron under pressure 212
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