papers
Publications (12)
cond-mat.mtrl-sci2010
Electronic structure interpolation via atomic orbitals
Mohan Chen, G-C Guo, Lixin He
cond-mat.soft2018
Structural, Electronic, and Dynamical Properties of Liquid Water by ab initio Molecular Dynamics based on SCAN Functional within the Canonical Ensemble
Lixin Zheng, Mohan Chen, Zhaoru Sun +4
cond-mat.mtrl-sci2015
Large-scale ab initio simulations based on systematically improvable atomic basis
Pengfei Li, Xiaohui Liu, Mohan Chen +5
physics.plasm-ph2018
Self-energy effects and energy band theory for warm dense matter
Chang Gao, Shen Zhang, X. T. He +4
physics.chem-ph2018
Electron-hole theory of the effect of quantum nuclei on the x-ray absorption spectra of liquid water
Zhaoru Sun, Lixin Zheng, Mohan Chen +3
cond-mat.mtrl-sci2016
Stabilization of highly polar BiFeO$_3$-like structure: a new interface design route for enhanced ferroelectricity in artificial perovskite superlattices
Hongwei Wang, Jianguo Wen, Dean J. Miller +5
physics.comp-ph2013
Accelerating Atomic Orbital-based Electronic Structure Calculation via Pole Expansion and Selected Inversion
Lin Lin, Mohan Chen, Chao Yang +1
cond-mat.soft2018
Why does hydronium diffuse faster than hydroxide in liquid water?
Mohan Chen, Lixin Zheng, Biswajit Santra +5
cond-mat.soft2017
First-principles molecular dynamics study of deuterium diffusion in liquid tin
Xiaohui Liu, Daye Zheng, Xinguo Ren +2
cond-mat.mtrl-sci2010
Systematically improvable optimized atomic basis sets for {\it ab inito} calculations
Mohan Chen, G-C Guo, Lixin He
cond-mat.soft2017
Ab initio theory and modeling of water
Mohan Chen, Hsin-Yu Ko, Richard C. Remsing +8
cond-mat.soft2017
X-ray absorption of liquid water by advanced ab initio methods
Zhaoru Sun, Mohan Chen, Lixin Zheng +7