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Rui Yang
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Atomistic structure of the Cu (1 1 1)/α-Al2O3 (0 0 0 1) interface in terms of interatomic potentials fitted to ab initio results
SV Dmitriev, N Yoshikawa, M Kohyama, S Tanaka, R Yang, Y Kagawa
Acta materialia 52 (7), 1959-1970, 2004
832004
Validity of current force fields for simulations on boron nitride nanotubes
TA Hilder, R Yang, V Ganesh, D Gordon, A Bliznyuk, AP Rendell, ...
Micro & Nano Letters 5 (2), 150-156, 2010
632010
First-principles study on the tensile strength and fracture of the Al-terminated stoichiometric α-Al2O3(0001)/Cu(111) interface
R Yang, S Tanaka, M Kohyama*
Philosophical Magazine 85 (25), 2961-2976, 2005
492005
First-principles characterization of atomic structure of Al2O3 (0001)/Cu nano-hetero interface
S Tanaka, R Yang, M Kohyama, T Sasaki, K Matsunaga, Y Ikuhara
Materials transactions 45 (7), 1973-1977, 2004
452004
Chemical bonding at the Al-terminated stoichiometric α-Al2O3(0001)/Cu(111) interface
R Yang, S Tanaka, M Kohyama
Philosophical magazine letters 84 (7), 425-434, 2004
422004
Effects of Cr, Mn on the cohesion of the γ-iron grain boundary
R Yang, DL Zhao, YM Wang, SQ Wang, HQ Ye, CY Wang
Acta materialia 49 (6), 1079-1085, 2001
422001
Automatically generated Coulomb fitting basis sets: Design and accuracy for systems containing H to Kr
R Yang, AP Rendell, MJ Frisch
The Journal of chemical physics 127 (7), 2007
382007
Silicon carbide nanotube as a chloride-selective channel
TA Hilder, R Yang, D Gordon, AP Rendell, SH Chung
The Journal of Physical Chemistry C 116 (7), 4465-4470, 2012
332012
Transition metal alloying effects on chemical bonding in TiH2
R Yang, YM Wang, Y Zhao, LB Wang, HQ Ye, CY Wang
Acta materialia 50 (1), 109-120, 2002
312002
First-principles study of the adhesive and mechanical properties of the O-terminated α-Al2O3 (0001)/Cu (111) interfaces
S Tanaka, R Yang, M Kohyama
Philosophical Magazine 86 (32), 5123-5135, 2006
302006
First-principles study of water confined in single-walled silicon carbide nanotubes
R Yang, TA Hilder, SH Chung, A Rendell
The Journal of Physical Chemistry C 115 (35), 17255-17264, 2011
272011
Modeling interatomic interactions across Cu/α–Al2O3 interface
SV Dmitriev, N Yoshikawa, M Kohyama, S Tanaka, R Yang, Y Tanaka, ...
Computational materials science 36 (3), 281-291, 2006
262006
Memory and thread placement effects as a function of cache usage: A study of the gaussian chemistry code on the SunFire X4600 M2
R Yang, J Antony, PP Janes, AP Rendell
2008 International Symposium on Parallel Architectures, Algorithms, and …, 2008
242008
First-principles study of the segregation effects on the cohesion of FCC grain boundary
R Yang, YM Wang, HQ Ye, CY Wang
Journal of Physics: Condensed Matter 13 (20), 4485, 2001
212001
A simple performance model for multithreaded applications executing on non-uniform memory access computers
R Yang, J Antony, AP Rendell
2009 11th IEEE International Conference on High Performance Computing and …, 2009
192009
Profiling directed NUMA optimization on Linux systems: A case study of the Gaussian computational chemistry code
R Yang, J Antony, A Rendell, D Robson, P Strazdins
2011 IEEE International Parallel & Distributed Processing Symposium, 1046-1057, 2011
182011
First principles study of gallium atom adsorption on the α-al2o3 (0001) surface
R Yang, AP Rendell
The Journal of Physical Chemistry B 110 (19), 9608-9618, 2006
172006
Modelling the runtime of the gaussian computational chemistry application and assessing the impacts of microarchitectural variations
J Antony, AP Rendell, R Yang, G Trucks, MJ Frisch
Procedia Computer Science 4, 281-291, 2011
132011
First-principles study on the effect of Mn and N on the cohesion of a γ-iron grain boundary
R Yang, YM Wang, RZ Huang, HQ Ye, CY Wang
Physical Review B 65 (9), 094112, 2002
132002
A data quality strategy to enable fair, programmatic access across large, diverse data collections for high performance data analysis
B Evans, K Druken, J Wang, R Yang, C Richards, L Wyborn
Informatics 4 (4), 45, 2017
122017
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