How to cite


If you find VASPKIT code useful in your work, you should cite our papers and the appropriate references therein

[1] V. Wang, N. Xu, J.C. Liu, G. Tang, W.T. Geng, VASPKIT: A User-Friendly Interface Facilitating High-Throughput Computing and Analysis Using VASP Code, Computer Physics Communications 267, 108033 (2021).

and state in your manuscript/paper that you have used the VASPKIT program. An appropriate way of acknowledging the use of VASPKIT in your publications would be, for instance, adding a sentence like

We used the VASPKIT code for post-processing of the VASP calculated data.” or “The electronic band calculations were performed with density functional theory (DFT) by combining the Vienna ab initio Simulation package (VASP) with post-processing VASPKIT package.

title = {VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code},
journal = {Computer Physics Communications},
volume = {267},
pages = {108033},
year = {2021},
doi = {},
author = {Vei Wang and Nan Xu and Jin-Cheng Liu and Gang Tang and Wen-Tong Geng},

Cited publications

The VASPKIT program has been cited by more than 1100 times (google scholar) since 2021. Many thanks to the authors! Some of them are listed below.

    1. Liu, M. De Bastiani, E. Aydin, G. T. Harrison, et al. Efficient and stable perovskite-silicon tandem solar cells through contact displacement by MgFx. Science, eabn8910 (2022).

    1. Sun, O. J. Silveira, Y. Ma, Y. Hasegawa, et al. On-surface synthesis of disilabenzene-bridged covalent organic frameworks. Nature Chemistry (2022).

    1. Wang, Y. Wang, J. Wang, et al. Rational design of perovskite ferrites as high-performance proton-conducting fuel cell cathodes. Nature Catalysis (2022).

    1. Li, F. Xu, X. Tang, S. Dai, T. Pu, X. Liu, et al. Induced activation of the commercial Cu/ZnO/Al2O3 catalyst for the steam reforming of methanol. Nature Catalysis 5, 1-10 (2022).

    1. Zhao, C. Deng, D. Tang, et al. α-Fe2O3 as a versatile and efficient oxygen atom transfer catalyst in combination with H2O as the oxygen source. Nature Catalysis 4, 684–691 (2021).

    1. Liu, H. Li, J. Zhong, K. Xu, et al. A crystal glass–nanostructured Al-based electrocatalyst for hydrogen evolution reaction. Science Advances 8, eadd6421 (2022).

    1. Peng, R. Xie, Z. Wang, et al. Blackbody-sensitive room-temperature infrared photodetectors based on low-dimensional tellurium grown by chemical vapor deposition. Science Advances 7, eabf7358 (2021).

    1. Ohtsuka, N. Kanazawa, M. Hirayama, et al. Emergence of spin-orbit coupled ferromagnetic surface state derived from Zak phase in a nonmagnetic insulator FeSi, Science Advances 7, eabj0498 (2021).

      1. Zhang, J. Jin, J. M. Chen, Y. Y. Fang, et al. Pinpointing the axial ligand effect on platinum single-atom-catalyst towards efficient alkaline hydrogen evolution reaction. Nature Communications 13, 6875 (2022).

    1. Liang, C. Fan, C. Liu, C. Chai, et al. Near-room-temperature martensitic actuation profited from one-dimensional hybrid perovskite structure. Nature Communications 13, 6599 (2022).

    1. Li, Q. Wan, C. Du, J. Zhao, et al. Layered Pd oxide on PdSn nanowires for boosting direct H2O2 synthesis, Nature Communications 13, 6072 (2022).

    1. Xia, E. Minamitani, R. Zitko, Z. Liu, et al. Spin-orbital Yu-Shiba-Rusinov states in single Kondo molecular magnet. Nature Communications 13, 6388 (2022).

    1. Zhang, L. Zhang, J. Liu, C. Zhong, Y. Tu, Li, et al. (2022). OH spectator at IrMo intermetallic narrowing activity gap between alkaline and acidic hydrogen evolution reaction. Nature communications 13, 5497 (2022).

    1. Deng, Z. Zheng, J. Li, R. Zhou, X. Chen, D. Zhang, et al. Electrically tunable two-dimensional heterojunctions for miniaturized near-infrared spectrometers. Nature Communications 131, 4627 (2022).

    1. Bae, K. Matsumoto, H. Raebiger, et al. K-Point Longitudinal Acoustic Phonons Are Responsible for Ultrafast Intervalley Scattering in monolayer MoSe2. Nature Communications 13, 4279 (2022).

    1. Meng, B.F. Ding, S.Z. Zhang, Z.H. Zhang, et al. Angstrom-confined catalytic water purification within Co-TiOx laminar membrane nanochannels. Nature communications 13, 4010 (2022).

    1. Chen, Q. Ma, X. Zheng, Y. Fang, et al. Kinetically restrained oxygen reduction to hydrogen peroxide with nearly 100% selectivity. Nature communications 13, 1-9 (2022).

    1. Ruan, X. Wang, C. Wang, et al. Selective catalytic oxidation of ammonia to nitric oxide via chemical looping. Nature Communications 13, 718 (2022).

    1. Bai, J. Wu, X. Su, et al. Electroresistance in multipolar antiferroelectric Cu2Se semiconductor, Nature Communications 12, 1 (2021).

    1. Liu, J.-A. Wang, et al. Interfacial electronic structure engineering on molybdenum sulfide for robust dual-pH hydrogen evolution, Nature Communications 12, 5260 (2021).

    1. Xian, M. Claassen, et al. Realization of nearly dispersionless bands with strong orbital anisotropy from destructive interference in twisted bilayer MoS2, Nature Communications 12, 5644 (2021).

    1. Bao, Y. Qiu, X. Peng, et al. Isolated copper single sites for high-performance electroreduction of carbon monoxide to multicarbon products. Nature Communications 12, 238 (2021).

    1. Li, D. Rao, J. Zhou, et al. Amorphization-induced surface electronic states modulation of cobaltous oxide nanosheets for lithium-sulfur batteries. Nature Communications 12, 3102 (2021).

    1. Yu, W. Liu, S.-W. Ke, M. Kurmoo, J.-L. Zuo, Q. Zhang, Electrochromic two-dimensional covalent organic framework with a reversible dark-to-transparent switch. Nature Communications 11, 5534 (2020).

    1. Wu, L. Lin, J. Liu, J. Zhang, F. Zhang, et al. Inverse ZrO2/Cu as a highly efficient methanol synthesis catalyst from CO2 hydrogenation, Nature Communications 11, 5767 (2020).

    1. Zhao, X. Liu, Y. Wang, Y. Yang, et al. Zeeman Effect in Centrosymmetric Antiferromagnetic Semiconductors Controlled by an Electric Field. Physical Review Letters 129, 187602 (2022).

    1. Yoshida, H. Akamatsu, and K. Hayashi, Electronic Origin of Non-Zone-Center Phonon Condensation: Octahedral Rotation as a Case Study. Physical Review Letters 127, 215701 (2021).

    1. Cheng, B.F. Miao, Z. Liu, M. Yang, K. He, Y.L. Zeng, et al. Coherent Picture on the Pure Spin Transport between Ag/Bi and Ferromagnets. Physical Review Letters 129, 097203 (2022).

    1. Zhang, Y. Wang, Q. Zeng, J. Sheng, et al. Scaling of Berry-curvature monopole dominated large linear positive magnetoresistance. PNAS 119, e2208505119 (2022).

    1. Peng. Monolayer Fullerene Networks as Photocatalysts for Overall Water Splitting. Journal of the American Chemical Society 144, 19921−19931 (2022).

    1. Huang, X. Li, Y. Tao, et al. Understanding Electron–Phonon Interactions in 3D Lead Halide Perovskites from the Stereochemical Expression of 6s2 Lone Pairs. Journal of the American Chemical Society 144, 12247–12260 (2022).

    1. Luo, K. Yin, R. Dronskowski, Existence of BeCN2 and Its First-Principles Phase Diagram: Be and C Introducing Structural Diversity. Journal of the American Chemical Society 144, 5155–5162 (2022).

    1. Han, C. Feng, M. H. Du, et al. Design of High-Performance Lead-Free Quaternary Antiperovskites for Photovoltaics via Ion Type Inversion and Anion Ordering. Journal of the American Chemical Society 143, 12369–12379 (2021).

    1. Luo, X. Qiao, R. Dronskowski, Predicting Nitrogen-based Families of Compounds: Transition-metal Guanidinates TCN3 (T= V, Nb, Ta) and Ortho-nitrido Carbonates T2CN4 (T= Ti, Zr, Hf), Angewandte Chemie 60, 486 (2020).


More cited papers can be found in Google Scholar.

(to be updated)