Polymeric nitrogen C Mailhiot, LH Yang, AK McMahan
Physical Review B 46 (22), 14419, 1992
512 1992 Atomistic modeling of the fracture of polycrystalline diamond OA Shenderova, DW Brenner, A Omeltchenko, X Su, LH Yang
Physical Review B 61 (6), 3877, 2000
454 2000 Ab initio pseudopotential calculations of B diffusion and pairing in Si J Zhu, TD Dela Rubia, LH Yang, C Mailhiot, GH Gilmer
Physical Review B 54 (7), 4741, 1996
271 1996 Six low-strain zinc-blende half metals: An ab initio investigation JE Pask, LH Yang, CY Fong, WE Pickett, S Dag
Physical review B 67 (22), 224420, 2003
221 2003 Quantum-based atomisticsimulation of materials properties in transition metals JA Moriarty, JF Belak, RE Rudd, P Söderlind, FH Streitz, LH Yang
Journal of Physics: Condensed Matter 14 (11), 2825, 2002
176 2002 Accurate atomistic simulation of (a /2) 〈111〉 screw dislocations and other defects in bcc tantalum LH Yang, P Söderlind, JA Moriarty
Philosophical Magazine A 81 (5), 1355-1385, 2001
158 2001 Atomic Scale Observations of Metal-Induced Gap States at DA Muller, DA Shashkov, R Benedek, LH Yang, J Silcox, DN Seidman
Physical review letters 80 (21), 4741, 1998
151 1998 First-principles formation energies of monovacancies in bcc transition metals P Söderlind, LH Yang, JA Moriarty, JM Wills
Physical Review B 61 (4), 2579, 2000
144 2000 First Principles Simulation of a Ceramic R Benedek, A Alavi, DN Seidman, LH Yang, DA Muller, C Woodward
Physical review letters 84 (15), 3362, 2000
125 2000 Structural and electronic properties of pentacene molecule and molecular pentacene solid RG Endres, CY Fong, LH Yang, G Witte, C Wöll
Computational materials science 29 (3), 362-370, 2004
122 2004 Adhesive energy and charge transfer for MgO/Cu heterophase interfaces R Benedek, M Minkoff, LH Yang
Physical Review B 54 (11), 7697, 1996
121 1996 Electronic structure of solid 1, 3, 5-triamino-2, 4, 6-trinitrobenzene under uniaxial compression: Possible role of pressure-induced metallization in energetic materials CJ Wu, LH Yang, LE Fried, J Quenneville, TJ Martinez
Physical Review B 67 (23), 235101, 2003
105 2003 Catalytic behaviour of dense hot water CJ Wu, LE Fried, LH Yang, N Goldman, S Bastea
Nature chemistry 1 (1), 57-62, 2009
93 2009 Site preferences and formation energies of substitutional Si, Nb, Mo, Ta, and W solid solutions in L 1 0 Ti-Al C Woodward, S Kajihara, LH Yang
Physical Review B 57 (21), 13459, 1998
90 1998 Stabilizing and increasing the magnetic moment of half-metals: The role of Li in half-Heusler L Damewood, B Busemeyer, M Shaughnessy, CY Fong, LH Yang, ...
Physical Review B 91 (6), 064409, 2015
78 2015 Half-Metallic Digital Ferromagnetic Heterostructure Composed of a MC Qian, CY Fong, K Liu, WE Pickett, JE Pask, LH Yang
Physical review letters 96 (2), 027211, 2006
72 2006 De novo ultrascale atomistic simulations on high-end parallel supercomputers A Nakano, RK Kalia, K Nomura, A Sharma, P Vashishta, F Shimojo, ...
The International Journal of High Performance Computing Applications 22 (1 …, 2008
69 2008 Atomic and electronic structure and interatomic potentials at a polar ceramic/metal interface: R Benedek, DN Seidman, M Minkoff, LH Yang, A Alavi
Physical Review B 60 (23), 16094, 1999
66 1999 High-temperature phonon stabilization of P Söderlind, B Grabowski, L Yang, A Landa, T Björkman, P Souvatzis, ...
Physical Review B—Condensed Matter and Materials Physics 85 (6), 060301, 2012
65 2012 Electronic properties of Na overlayers on the GaAs (110) surface CY Fong, LH Yang, IP Batra
Physical Review B 40 (9), 6120, 1989
65 1989 