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A.Y. Lozovoi

Queen's University Belfast

26

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1257

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NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods.

2020 arXiv: Computational Physics
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Citations (21)
First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion

2015 Acta Materialia
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Universal tight binding model for chemical reactions in solution and at surfaces. II. Water

2014 Journal of Chemical Physics
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Universal tight binding model for chemical reactions in solution and at surfaces. I. Organic molecules

2014 Journal of Chemical Physics
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Universal tight binding model for chemical reactions in solution and at surfaces. III. Stoichiometric and reduced surfaces of titania and the adsorption of water

2014 Journal of Chemical Physics
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The effect of alloying elements on grain boundary and bulk cohesion in aluminum alloys: An ab initio study

2011 Scripta Materialia
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Interatomic potential for the Cu-Ta system and its application to surface wetting and dewetting

2008 Physical Review B
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Boron in copper: A perfect misfit in the bulk and cohesion enhancer at a grain boundary

2008 Physical Review B
- A.Y. Lozovoi
- Anthony Paxton
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Citations (51)
Vibrational frequencies of CO on Pt(111) in electric field : A periodic DFT study

2007 Journal of Electroanalytical Chemistry
- A.Y. Lozovoi
- Ali Alavi
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Citations (23)
Angular-dependent interatomic potential for tantalum

2006 Acta Materialia
- Y. Mishin
- A.Y. Lozovoi
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Citations (60)