Mohan Chen
Affiliations: | Peking University, Beijing, Beijing Shi, China |
Area:
density functional theoryGoogle:
"Mohan Chen"
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Publications
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| Liu R, Zheng D, Liang X, et al. (2023) Implementation of the meta-GGA exchange-correlation functional in numerical atomic orbital basis: With systematic testing on SCAN, rSCAN, and r2SCAN functionals. The Journal of Chemical Physics. 159 |
| Zhang C, Tang F, Chen M, et al. (2021) Modeling Liquid Water by Climbing up Jacob's Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials. The Journal of Physical Chemistry. B |
| Zheng Y, Liu L, Nan H, et al. (2020) Disordered hyperuniformity in two-dimensional amorphous silica. Science Advances. 6: eaba0826 |
| Zhang L, Chen M, Wu X, et al. (2020) Deep neural network for the dielectric response of insulators Physical Review B. 102 |
| Liu Q, Lu D, Chen M. (2019) Structure and dynamics of warm dense aluminum: A molecular dynamics study with density functional theory and deep potential. Journal of Physics. Condensed Matter : An Institute of Physics Journal |
| Xu J, Chen M, Zhang C, et al. (2019) First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network Physical Review B. 99 |
| Sun Z, Zheng L, Chen M, et al. (2018) Electron-Hole Theory of the Effect of Quantum Nuclei on the X-Ray Absorption Spectra of Liquid Water. Physical Review Letters. 121: 137401 |
| Del Rio BG, Chen M, González LE, et al. (2018) Orbital-free density functional theory simulation of collective dynamics coupling in liquid Sn. The Journal of Chemical Physics. 149: 094504 |
| Zheng L, Chen M, Sun Z, et al. (2018) Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble. The Journal of Chemical Physics. 148: 164505 |
| Chen M, Zheng L, Santra B, et al. (2018) Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer. Nature Chemistry |