Jian Sun

发表

Understanding THz spectra of aqueous solutions: glycine in light and heavy water.

D. Marx, H. Forbert, G. Schwaab, 2014, Journal of the American Chemical Society.

Structural prediction and phase transformation mechanisms in calcium at high pressure.

D. Klug, R. Martoňák, Yansun Yao, 2009, Physical review letters.

Localization and orbital selectivity in iron-based superconductors with Cu substitution

L. Zou, Dayong Liu, Yun Song, 2015, 1506.00767.

Controlling the bonding and band gaps of solid carbon monoxide with pressure.

R. Needs, D. Klug, C. Pickard, 2011, Physical review letters.

Dissecting the THz spectrum of liquid water from first principles via correlations in time and space

Jian Sun, Dominik Marx, Stefan Funkner, 2010, Proceedings of the National Academy of Sciences.

Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water.

D. Marx, G. Mathias, M. Heyden, 2012, The journal of physical chemistry letters.

Solvation shell resolved THz spectra of simple aqua ions - distinct distance- and frequency-dependent contributions of solvation shells.

D. Marx, H. Forbert, Maciej Śmiechowski, 2015, Physical chemistry chemical physics : PCCP.

A dynamical mean-field study of orbital-selective Mott phase enhanced by next-nearest neighbor hopping

Yun Song, Yuekun Niu, Jian Sun, 2018, Physica B: Condensed Matter.

Reentrant metal-insulator transition and competing magnetic interactions on a triangular lattice with second nearest-neighbor hopping

Hai-Qing Lin, Xiaoqing Wang, Jian Sun, 2021, Physical Review B.

Doublon-holon excitations split by Hund's rule coupling within the orbital-selective Mott phase

S. Feng, Yun Song, Yuekun Niu, 2019, Physical Review B.

Persistence and eventual demise of oxygen molecules at terapascal pressures.

R. Needs, D. Klug, C. Pickard, 2011, Physical review letters.

Effects of iron spin transition on the electronic structure, thermal expansivity and lattice thermal conductivity of ferropericlase: a first principles study

Miao Wan, Kaihua He, Qili Chen, 2019, Scientific Reports.

Ab Initio Molecular Dynamics Simulations of Aqueous Glycine Solutions: Solvation Structure and Vibrational Spectra

D. Marx, H. Forbert, Jian Sun, 2010 .

Structural transformations in carbon under extreme pressure: beyond diamond.

D. Klug, R. Martoňák, Jian Sun, 2009, The Journal of chemical physics.

Glycine in aqueous solution: solvation shells, interfacial water, and vibrational spectroscopy from ab initio molecular dynamics.

D. Marx, H. Forbert, Jian Sun, 2010, The Journal of chemical physics.

High-pressure polymeric phases of carbon dioxide

D. Klug, E. Tosatti, R. Martoňák, 2009, Proceedings of the National Academy of Sciences.

First principles study of the Mn-doping effect on the physical and chemical properties of mullite-family Al2SiO5.

Yongping Zheng, Kyeongjae Cho, B. Shan, 2017, Physical chemistry chemical physics : PCCP.

Stable all-nitrogen metallic salt at terapascal pressures.

R. Needs, D. Klug, C. Pickard, 2012, Physical review letters.

A Numerical Study of the Electronic Properties of Graphene Bilayer with Local Disorder

Yun Song, Long He, Jian Sun, 2012 .

Dissecting the THz spectrum of liquid water from first principles via correlations in time and space

D. Marx, G. Mathias, M. Heyden, 2010, Proceedings of the National Academy of Sciences.