Jianguo. Yu

发表

Coverage dependence and hydroperoxyl-mediated pathway of catalytic water formation on Pt (111) surface.

Ju Li, L. Qi, Jianguo. Yu, 2006, The Journal of chemical physics.

Comparison of the performance of exact-exchange-based density functional methods.

T. Furlani, E. Proynov, Jing Kong, 2012, The Journal of chemical physics.

Charge and Ion Transport in NiO and Aspects of Ni Oxidation from First Principles

Jianguo Yu, K. Rosso, S. Bruemmer, 2012 .

A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation

Benjamin T. Miller, M. Head‐Gordon, B. Brooks, 1999 .

Charge optimized many-body potential for the Si/SiO2 system

Susan B. Sinnott, Jianguo Yu, Simon R. Phillpot, 2007 .

Reversible Sodium Ion Insertion in Single Crystalline Manganese Oxide Nanowires with Long Cycle Life.

Jun Liu, Z. Yang, D. Choi, 2011 .

Reversible Sodium Ion Insertion in Single Crystalline Manganese Oxide Nanowires with Long Cycle Life

Zhenguo Yang, Jun Liu, Zimin Nie, 2011, Advanced materials.

Atomic-Resolution Visualization of Distinctive Chemical Mixing Behavior of Ni, Co, and Mn with Li in Layered Lithium Transition-Metal Oxide Cathode Materials

K. Amine, F. Pan, Guoying Chen, 2015 .

Ab initio prediction of the geometry, vibration properties, polarizabilities, and first hyperpolarizabilities of phosphaethyne

J. E. Bloor, Jianguo. Yu, Jianguo. Yu, 1990 .

Performance of new density functionals of nondynamic correlation on chemical properties.

Benjamin G. Janesko, E. Proynov, Jing Kong, 2019, The Journal of chemical physics.

Molecular-dynamics simulation of threshold displacement energies in zircon

R. Devanathan, P.A.F.P. Moreira, P. Moreira, 2009 .

First-principles study of defects and phase transition in UO2

Jianguo Yu, Ram Devanathan, W. J. Weber, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Describing a Strongly Correlated Model System with Density Functional Theory.

E. Proynov, Jing Kong, R. Pachter, 2017, The journal of physical chemistry letters.

Energetic recoils in UO2 simulated using five different potentials.

Jianguo Yu, Ram Devanathan, R. Devanathan, 2009, The Journal of chemical physics.

Unified interatomic potential for zircon, zirconia and silica systems

R. Devanathan, Jianguo. Yu, W. J. Weber, 2009 .

Kinetic Monte Carlo Study of Ambipolar Lithium Ion and Electron–Polaron Diffusion into Nanostructured TiO2

S. Kerisit, Jun Liu, K. Rosso, 2012 .

Migration mechanisms of oxygen interstitial clusters in UO2

Jianguo Yu, T. Allen, A. El-Azab, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Short-range attraction, surface currents, and mound formation in metal (111) epitaxial growth

J. Amar, Jianguo Yu, Jianguo. Yu, 2004 .

Effects of short-range attraction in metal epitaxial growth.

Jianguo Yu, J. Amar, Jacques G Amar, 2002, Physical review letters.

Milestone report on MD potential development for uranium silicide

Jianguo Yu, J. Hales, Yongfeng Zhang, 2016 .

Scaling behavior of the surface in ballistic deposition.

J. Amar, Jianguo. Yu, 2002, Physical review. E, Statistical, nonlinear, and soft matter physics.

Oxygen transport in off-stoichiometric uranium dioxide mediated by defect clustering dynamics.

Jianguo Yu, T. Allen, A. El-Azab, 2015, The Journal of chemical physics.

Ab initio study of lithium transition metal fluorophosphate cathodes for rechargeable batteries

Jun Liu, J. Zhang, K. Rosso, 2011 .

Reversible Sodium Ion Insertion in Single Crystalline Manganese Oxide Nanowires with Long Cycle Life

Jun Liu, Z. Yang, D. Choi, 2011, Advanced materials.

A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation

Benjamin T. Miller, M. Head‐Gordon, B. Brooks, 2010 .

Interatomic potential for the structure and energetics of tetrahedrally coordinated silica polymorphs

S. Sinnott, S. Phillpot, Jianguo Yu, 2007 .