70. Electric Polarization from a Many-Body Neural Network Ansatz.
Xiang Li, Yubing Qian, Ji Chen, Phys. Rev. Lett. 132, 176401 (2024)
69. Force and stress calculation with neural network wavefunction for solids.
Yubing Qian, Xiang Li, Ji Chen, Faraday Discussions 10.1039/D4FD00071D (2024)
68. Imaging surface structure and premelting of ice Ih with atomic resolution.
Jiani Hong et al. Nature 10.1038/s41586-024-07427-8 (2024)
67. Atomic-scale observation of localized phonons at FeSe/SrTiO3 interface.
Ruochen Shi et al. Nature Communications 15, 3418 (2024)
66. A computational framework for neural network-based variational Monte Carlo with Forward Laplacian.
Ruichen Li et al. Nature Machine Intelligence 6, 209 (2024)
65. Variance extrapolation method for neural-network variational Monte Carlo.
Weizhong Fu, Weiluo Ren, Ji Chen. Machine Learning: Science and Technology 5, 015016 (2024)
Y. Tian et al. Nature Nanotechnology 10.1038/s41565-023-01550-9
63. Origin of dielectric polarization suppression in confined water from first principles.
T. Dufils, C. Schran, J. Chen, A. K. Geim, L. Fumagalli, A. Michaelides, Chemical Science, 15, 516 (2024)
Full text from publisher From arXiv
62. Spin singlet pairing of bismuth in titania.
Jing Chang, Haoxiang Chen, Peng Gao, Ji Chen. J. Chem. Phys. 159, 174709 (2023)
61. Phonon transition across an isotopic interface.
Ning Li et al., Nature Communications 14, 2382 (2023)
60. Understanding the wetting of transition metal dichalcogenides from an ab initio perspective.
Siheng Li, Keyang Liu, Jiri Klimes, Ji Chen, Phys. Rev. Research 5, 023018 (2023)
Z. Zeng et al., Nature Communications 14, 6131 (2023)
Full text from publisher arXiv
58. Regulating Anderson Localization with Structural Defect Disorder.
Mouyang Cheng, Haoxiang Chen, Ji Chen, arXiv:2303.00997 (2023)
57. Multi-configurational nature of electron correlation within nitrogen vacancy centers in diamond.
Yilin Chen et al., Phys. Rev. B 108, 045111 (2023)
Full text from publisher arXiv
S. Yu et al., Advanced Materials Interfaces, 10, 2202196 (2023)
55. Tracking cubic ice at molecular resolution.
X. Huang et al., Nature (2023) 10.1038/s41586-023-05864-5
54. Graphic Characterization and Clustering Configuration Descriptors of Determinant Space for Molecules.
Lei Sun, Zixi Zhang, Tonghuan jiang, Yilin Chen, Ji Chen, J. Chem. Theory Comput. (2023) 10.1021/acs.jctc.3c00076
Full text from publisher From arXiv
53. Towards the ground state of molecules via diffusion Monte Carlo on neural networks.
Weiluo Ren, Weizhong Fu, Xiaojie Wu, Ji Chen, Nature Communications 14, 1860 (2023)
Full text from publisher From arXiv
52. Disorder-tuned conductivity in amorphous monolayer carbon.
H. Tian et al., Nature 615, 56 (2023)
51. Towards an accurate description of one-dimensional pnictogen allotropes in nano-confinement.
Jing Chang et al. Phys. Chem. Chem. Phys. (2023)
50. Effects of localized interface phonons on heat conductivity in ingredient heterogeneous solids.
M. Wu et al. Chinese Phys. Lett. 40, 036081 (2023)
49. Room-Temperature Metal-Catalyzed Ultrafast Gasification of Ultrathin Boron Flakes.
Shizhuo Liu et al., Adv. Funct. Mater. 2210729 (2022)
Yu Pan et al., Nature Synthesis, 1, 701 (2022)
47. Visualizing Eigen/Zundel cations and their interconversion in monolayer water on metal surfaces.
Ye Tian et al., Science 377, 315 (2022)
46. Interatomic force from neural network based variational quantum Monte Carlo.
Yubing Qian, Weizhong Fu, Weiluo Ren, Ji Chen, J. Chem. Phys. 157, 164104 (2022)
Full text from publisher From arXiv
Tonghuan Jiang, Wei Fang, Ali Alavi, Ji Chen, J. Chem. Theory Comput. 18, 7233(2022)
Full text from publisher From arXiv
44. Ab initio calculation of real solids via neural network ansatz.
Xiang Li, Zhe Li, Ji Chen, Nature Communications 13, 7895 (2022)
Full text from publisher From arXiv
43. One-dimensional structures in nanoconfinement.
Jing Chang, Ji Chen, Acta Phys. Sin., 71(12): 126101 (2022)
42. Quantum Tunnelling Driven H2 Formation on Graphene.
Erxun Han, Wei Fang, Michail Stamatakis, Jeremy O. Richardson, Ji Chen, J. Phys. Chem. Lett. 13, 3173-3181 (2022)
41. General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides.
Benjamin Xu Shi, Venkat Kapil, Andrea Zen, Ji Chen, Ali Alavi, Angelos Michaelides, J. Chem. Phys. 156, 124704 (2022)
Full text from publisher From arXiv
40. The first-principles phase diagram of monolayer nanoconfined water.
Venkat Kapil, Christoph Schran, Andrea Zen, Ji Chen, Chris J. Pickard, Angelos Michaelides, Nature 609, 512 (2022)
Full text from publisher From arXiv
39. Onset of metallic transition in molecular liquid hydrogen.
Jianqing Guo, Bingqing Cheng, Limei Xu, Enge Wang, Ji Chen, arXiv 2201.03157 (2022)
38. Fermionic Neural Network with Effective Core Potential.
Xiang Li, Cunwei Fan, Weiluo Ren, Ji Chen, Phys. Rev. Research 4, 013021 (2022)
Full text from publisher From arXiv
37. Measuring phonon dispersion at an interface.
Ruishi Qi, Ruochen Shi, Yuehui Li, Yuanwei Sun, Mei Wu, Ning Li, Jinlong Du, Kaihui Liu, Chunlin Chen, Ji Chen, Feng Wang, Dapeng Yu, En-Ge Wang & Peng Gao, Nature 599, 399 (2021)
36. Deep vacancy induced low-density fluxional interfacial water.
Keyang Liu, Jianqing Guo, Weizhong Fu, Ji Chen, Phys. Rev. Research 3, L042014 (2021)
Full text from publisher From arXiv
35. A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules.
Tonghuan Jiang, Yilin Chen, Nikolay A. Bogdanov, Enge Wang, Ali Alavi, and Ji Chen, J. Chem. Phys. 154, 164302 (2021)
Full text from publisher From arXiv
34. Seeded 2D epitaxy of large-area single-crystal films of the van der Waals semiconductor 2H MoTe2.
Xiaolong Xu, Yu Pan, Shuai Liu, Bo Han, Pingfan Gu, Siheng Li, Wanjin Xu, Yuxuan Peng, Zheng Han, Ji Chen, Peng Gao, Yu Ye, Science 372, 195 (2021)
33. Microscopic Kinetics Pathway of Salt Crystallization in Graphene Nanocapillaries.
Lifen Wang, Ji Chen, Stephen J. Cox, Lei Liu, Gabriele C. Sosso, Ning Li, Peng Gao, Angelos Michaelides, Enge Wang, and Xuedong Bai, Phys. Rev. Lett. 126, 136001 (2021)
Full text from publisher From arXiv
32. The color center singlet state of oxygen vacancies in TiO2.
J. Chen, Nikolay A. Bogdanov, Denis Usvyat, Wei Fang, Angelos Michaelides, Ali Alavi, J. Chem. Phys. 153, 204704 (2020)
Full text from publisher From arXiv
31. Hydration of NH4+ in Water: Bifurcated Hydrogen Bonding Structures and Fast Rotational Dynamics.
J. Guo, L. Zhou, A. Zen, A. Michaelides, X. Wu, E-G. Wang, L-M. Xu, and J. Chen. Phys. Rev. Lett. 125, 106001 (2020)
Full text from publisher From arXiv
30. Synthesis of Honeycomb‐Structured Beryllium Oxide via Graphene Liquid Cells
L. Wang, L. Liu, J. Chen, A. Mohsin, J. H. Yum, T. W. Hudnall, C. W. Bielawski, T. Rajh, X-D. Bai, S‐P. Gao, G. Gu. Angewandte Chemie International Edition, 59, 15734(2020)
J. Guo, D-Y. Cao, J. Chen, K. Bian, L-M Xu, En-Ge Wang, Y. Jiang. The Journal of Chemical Physics, (2020)
28. Origins of fast diffusion of water dimers on surfaces.
W. Fang, J. Chen, P. Pedevilla, X-Z. Li, J. O. Richardson, A. Michaelides. Nature Communications 11, 1689 (2020)
27. Small polarons and the Janus nature of TiO2 (110).
J. Chen, C. Penschke, A. Alavi, A. Michaelides. Phys. Rev. B 101, 115402 (2020)
Full text from publisher From arXiv
26. Atomic imaging of the edge structure and growth of a two-dimensional hexagonal ice.
R. Ma, D. Cao, C. Zhu, Y. Tian, J. Peng, J. Guo, J. Chen, X. Li, J. Francisco, X. C. Zeng, L. Xu, E. Wang, Y. Jiang. Nature, 577, 60 (2020)
25. One-Dimensional Pnictogen Allotropes inside Single-Wall Carbon Nanotubes.
M. Hart, J. Chen, A. Michaelides, A. Sella, M. S. P. Shaffer and C. G. Salzmann. Inorganic Chemistry, 58, 15216 (2019)
24. Advances in Atomic Force Microscopy: Weakly Perturbative Imaging of the Interfacial Water.
D. Cao, Y. Song, J. Peng, R. Ma, J. Guo, J. Chen, X. Li, Y Jiang , E. Wang and L. Xu. Front. Chem. 7:626 (2019)
23. The quantum nature of hydrogen.
W. Fang, J. Chen, Y. X. Feng, X. Z. Li and A. Michaelides. Int. Rev. Phys. Chem. 38, 35 (2019)
22. Sticky when wet.
J. Chen and A. Michaelides. Nature Chemistry 10, 376 (2018)
M. Hart, J. Chen, A. Michaelides, A. Sella, M. S. Shaffer, and C. G. Salzmann. Angew. Chemie.: Int. Ed. 57, 11649 (2018)
20. Visualization of Water-Induced Surface Segregation of Polarons on Rutile TiO2(110).
C. M. Yim*, J. Chen*, Y. Zhang, B. Shaw, C. L. Pang, D. Grinter, H. Bluhm, C. Muryn, A. Michaelides, and G. Thornton.
J. Phys. Chem. Lett. 9, 4865−4871 (2018) (* co-first author)
19. The effect of hydration number on the interfacial transport of sodium ions.
J. Peng, D. Cao, Z. He, J. Guo, P. Hapala, R. Ma, B. Cheng, J. Chen, W. J. Xie, X.-Z. Li, P. Jelínek, L.-M. Xu, Y. Q. Gao, E. G. Wang, Y. Jiang. Nature 557, 701 (2018).
18. The Collective and Quantum Nature of Proton Transfer in the Cyclic Water Tetramer on NaCl(001).
Y. Feng, Z. C. Wang, J. Guo, J. Chen, E. G. Wang, Y. Jiang, and X. Z. Li. J. Chem. Phys. 148, 102329 (2017)
17. Hydrogenation Facilitates Proton Transfer through Two-Dimensional Honeycomb Crystals.
Y. Feng*, J. Chen*, W. Fang, E. G. Wang, A. Michaelides, X. Z. Li. J. Phys. Chem. Lett. 8, 6009 (2017) (* equal contribution)
16. Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals.
W. Fang, J. O. Richardson, J. Chen, X.-Z. Li, and A. Michaelides. Phys. Rev. Lett. 119, 126001 (2017)
15. Encapsulation and Polymerization of White Phosphorus Inside Single-wall Carbon Nanotubes.
M. Hart, E. R. White, J. Chen, C. M. McGilvery, C. J. Pickard, A. Michaelides, A. Sella, M. S. P. Shaffer, and C. G. Salzmann. Angew. Chemie.: Int. Ed. 56, 8144 (2017)
14. Double-layer ice from first principles.
J. Chen, G. Schusteritsch, C. J. Pickard, C. G. Salzmann, and A. Michaelides.Phys. Rev. B 95, 094121 (2017)
13. Evidence for stable square ice from quantum Monte Carlo.
J. Chen, A. Zen, J. G. Brandenburg, D. Alfe, and A. Michaelides. Phys. Rev. B 94, 220102(R) (2016)
12. Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs.
W. Fang, J. Chen, M. Rossi, Y. X. Feng, X. Z. Li, and A. Michaelides. J. Phys. Chem. Lett. 7, 2125 (2016)
G. C. Sosso, J. Chen, S. J. Cox, M. Fitzner, P. Pedevilla, A. Zen, and A. Michaelides. Chem. Rev. 116, 7078-7116 (2016)
10. Nuclear quantum effects of hydrogen bonds probed by tip-enhanced inelastic electron tunneling.
J. Guo, J-T. Lü, Y. X. Feng, J. Chen, J. B. Peng, Z. Lin, X. Meng, Z. Wang, X-Z. Li, E. G. Wang, and Y. Jiang. Science 352, 321 (2016)
9. 2D ice from first principles: structures and phase transitions.
J. Chen, G. Schusteritsch, C. J. Pickard, C. G. Salzmann, and A. Michaelides. Phys. Rev. Lett. 116, 025501 (2016)
8. Supercritical phenomenon of hydrogen beyond the liquid–liquid phase transition.
R. Li, J. Chen, X. Li, E. Wang, and L. Xu. New Journal of Physics 17, 063023 (2015)
7. Nuclear quantum effects on the high pressure melting of dense lithium.
Y. Feng, J. Chen, D. Alfè, X. Z. Li, and E. G. Wang. J. Chem. Phys. 142, 064506 (2015)
6. Direct visualization of concerted proton tunneling in a water nanocluster.
X. Meng, J. Guo, J. Peng, J. Chen, Z. Wang, J. R. Shi, X. Z. Li, E. G. Wang, and Y. Jiang. Nature Physics 11, 235 (2015)
J. Chen, X. G. Ren, X. Z. Li, D. Alfe, and E. G. Wang. J. Chem. Phys. 141, 024501 (2014)
4. An unconventional bilayer ice structure on a NaCl (001) film.
J. Chen*, J. Guo*, X. Meng*, J. Peng, J. Sheng, L. M. Xu, Y. Jiang, X. Z. Li, and E. G. Wang. Nature Communications, 4, 4056 (2014)
3. Real-space imaging of interfacial water with submolecular resolution.
J. Guo*, X. Z. Meng*, J. Chen*, J. B. Peng, J. M. Sheng, X. Z. Li, L. M. Xu, J. R. Shi, E. G. Wang, and Y. Jiang. Nature Materials 13, 184 (2014) (* equal contribution)
2. Quantum simulation of low-temperature metallic liquid hydrogen.
J. Chen, X. Z. Li, Q. F. Zhang, M. I. J. Probert, C. J. Pickard, R. J. Needs and E.G. Wang. Nature Communications 4, 2064 (2013)
1. Nature of proton transport in a water filled carbon nanotube and in liquid water.
J. Chen, X. Z. Li, Q. F. Zhang, A. Michaelides and E. G. Wang. Phys. Chem. Chem. Phys. 15, 6344-6349 (2013)
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