Publications
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| Conducting Polymer Theory |
- Soliton migration energetics along trans-polyacetylene backbone
Shin YW, Li MH, and Lin X
2009
- Conformational changes in conjugated polymers and underlying mechanisms
Botelho AL and Lin X
2009
- Twin instability of Peierls distortion and doping induced self-localized chain length variation in trans-polyacetylene
Li MH and Lin X
Submitted, 2009
- Multiple self-localized electronic states in trans-polyacetylene
Lin X, Li J, Forst CJ, and Yip S
Proceedings of the National Academy of Sciences of the United States of America 103
(24):
8943-8946 JUN 13 2006
- Time-dependent density functional theory with ultrasoft
pseudopotentials: Real-time electron propagation across a molecular junction
Qian XF, Li J, Lin X, and Yip S
Physical Review B 73 (3): Art. No. 035408 JAN 2006
- Controlling bending and twisting of conjugated polymers via solitons
Lin X, Li J, and Yip S
Physical Review Letters 95 (19): Art. No. 198303 NOV 4 2005
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Polaron-induced conformation change in single polypyrrole chain: An intrinsic actuation mechanism
Lin X, Li J, Smela E, and Yip S
International Journal of Quantum Chemistry 102 (5): 980-985 APR 20 2005
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| Conducting Polymer Experiment |
- Electromechanical characterization of polypyrrole bilayer actuators
Du P, Lin X, and Zhang X
2009
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| Glass Transition |
- A catchment basin self-avoiding simulated annealing algorithm
Li MH and Lin X
2009
- On the viscosity of supercooled liquids: atomistic insights
Kushima A, Lin X, and Yip S
Journal of Physics: Condensed Matter, (in print) 2009
- Computing the viscosity of supercooled liquids. II. Silica and
strong-fragile crossover behavior
Kushima A, Lin X, Li J, Qian XF, Eapen J, Mauro JC, Diep P, and Yip S
Journal of Chemical Physics, 131, 164505, 2009
- Computing the viscosity of supercooled liquids
Kushima A, Lin X, Li J, Eapen J, Mauro JC, Qian XF, Diep P, and Yip S
Journal of Chemical Physics 130: Act. No. 224504 June 11 2009
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| Plasticity and Dislocation |
- Atomistic examination of the unit processes and vacancy-dislocation
interaction in dislocation climb
Lau TT, Lin X, Sidney Yip, and Van Vleit K
Scripta Materialia 60 (6) 399-402 Mar 2009
- Many-body potential for point defect clusters in Fe-C alloys
Lau TT, Foerst CJ, Lin X, Yip S, and Van Vleit K
Physical Review Letters 98 (21): Art. No. 215501 MAY 25 2007
- Stress-dependent molecular pathways of silica-water reaction
Zhu T, Li J, Lin X, and Yip S
Journal of the Mechanics and Physics of Solids 53 (7): 1597-1623 JUL 2005
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| Heterogeneous Catalysis |
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Chemistry of sulfur oxides on transition metals. III. Oxidation of SO2 and
self-diffusion of O, SO2, and SO3 on Pt(111)
Lin X, Schneider WF, Trout BL
Journal of Physical Chemistry B 108 (35): 13329-13340 SEP 2 2004
- Chemistry of sulfur oxides on transition metals. II. Thermodynamics of
sulfur
oxides on platinum(111)
Lin X, Schneider WF, Trout BL
Journal of Physical Chemistry B 108 (1): 250-264 JAN 8 2004
- Chemistry of sulfur oxides on transition metals I: Configurations,
energetics, orbital analyses, and surface coverage effects of SO2 on Pt(111)
Lin X, Hass KC, Schneider WF, et al.
Journal of Physical Chemistry B 106 (48): 12575-12583 DEC 5 2002
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Effect of particle size on the adsorption of O and S atoms on Pt: A
density-functional theory study
Lin X, Ramer NJ, Rappe AM, et al.
Journal of Physical Chemistry B 105 (32): 7739-7747 AUG 16 2001
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| Quantum Monte Carlo |
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