List of All Publications


36. Li Wang,Qiwei Chen, Hong Shi, Huihui Liu, Xinguo Ren , Bing Wang, Kai Wu and Xiang Shao, “Metal adatoms generated by the co-play of melamine assembly and subsequent CO adsorption” Phys. Chem. Chem. Phys. 18, 2324-2329 (2016).
35. Pengfei Li, Xiaohui Liu, Mohan Chen, Peize Lin, Xinguo Ren, Lin Lin, Chao Yang, Lixin He, “Large-scale ab initio simulations based on systematically improvable atomic basis” Computational Materials Science 112 503–517 (2016).
34. Marco Casadei, Xinguo Ren, Patrick Rinke, Angel Rubio, and Matthias Scheffler, “Density functional theory study of the α-γ phase transition in cerium: Role of electron correlation and f -orbital localization” Phys. Rev. B 93, 075153 (2016).
33. Wael Chibani, Xinguo Ren, Matthias Scheffler, and Patrick Rinke, “Self-consistent Green’s function embedding for advanced electronic structure methods based on a dynamical mean-field concept” Phys. Rev. B 93,165106 (2016).
32. Chun-Sheng Guo, Xiaojun Xin, Michel A. Van Hove, Xinguo Ren, and Yong Zhao, “Origin of the Contrast Interpreted as Intermolecular and Intramolecular Bonds in Atomic Force Microscopy Images” J. Phys. Chem. C 119, 14195 (2015).
31. Xinguo Ren, Noa Marom, Fabio Caruso, Matthias Scheffler and Patrick Rinke, “Beyond the GW approximation: A second-order screened exchange correction” Phys. Rev. B 92,081104 (2015).
30. Chun-Sheng Guo, Michel A. Van Hove, Xinguo Ren, and Yong Zhao, “High-Resolution Model for Noncontact Atomic Force Microscopy with a Flexible Molecule on the Tip Apex “ New J. Phys. 14, 083023 (2015).
29. Michiel J. van Setten, Fabio Caruso, Sahar Sharifzadeh, Xinguo Ren, Matthias Scheffler, Fang Liu, Johannes Lischner, Lin Lin, Jack R. Deslippe, Steven G. Louie, Chao Yang, Florian Weigend, Jeffrey B. Neaton, Ferdinand Evers, and Patrick Rinke, “GW100: Benchmarking G0W0 for Molecular Systems” J. Chem. Theory Comput 11, 5665 (2015).
28. Maria Hellgren, Fabio Caruso, Daniel R. Rohr, Xinguo Ren, Angel Rubio, Matthias Scheffler, and Patrick Rinke, “Static correlation and electron localization in molecular dimers from the self-consistent” Phys. Rev. B 91, 165110 (2015).
27. Arvid Conrad Ihrig, JürgenWieferink, Igor Ying Zhang, Matti Ropo, Xinguo Ren, Patrick Rinke, Matthias Scheffler and      Volker Blum “Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory” New J. Phys. 17, 093020 (2015).
26. Sergey V. Levchenkoa, Xinguo Ren, Jürgen Wieferinka, Rainer Johanni, Patrick Rinke, Volker Blum, Matthias Scheffler,      “Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework” Comput. Phys. Commun. 192 60–9 (2015).
25. Liu Xiao-Hui, Chen Mo-Han, Li Peng-Fei, Shen Yu4, Ren Xin-Guo, Guo Guang-Can, He Li-Xin, “Introduction to first-principles simulation package ABACUS based on systematically improvable atomic orbitals” Acta Physica Sinica 64, 18 (2015).
24. Fabio Caruso, Viktor Atalla, Xinguo Ren, Angel Rubio, Matthias Scheffler, and Patrick Rinke, “First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory” Phys. Rev. B 90, 085141 (2014).
23. Ji Chen, Xinguo Ren, Xin-Zheng Li, Dario Alfe, and Enge Wang, “On the room-temperature phase diagram of high pressure hydrogen: An ab initio molecular dynamics perspective and a diffusion Monte Carlo study”, J. Chem. Phys. 141, 024501 (2014).
22. ­Noa Marom, Thomas K¨orzd¨orfer, Xinguo Ren, Alexander Tkatchenko, and James R. Chelikowsy, “Size Effects in the Interface Level Alignment of DyeSensitized TiO2 Clusters”, J. Phys. Chem. Lett. 5, 2395 (2014).
21. Igor Ying Zhang, Xinguo Ren, Patrick Rinke, Volker Blum, and Matthias Scheffler, “Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar”, New J. Phys. 15, 123033 (2013).
20. F. Caruso, P. Rinke, X. Ren, M. Scheffler, and A. Rubio, “Self-consistent GW: All-electron implementation with localized basis functions”, Phys. Rev. B 88, 075105 (2013).
19. X. Ren, P. Rinke, G. E. Scuseria, and M. Scheffler, “Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks”, Phys. Rev. B 88, 035120 (2013).
18. W. Liu, V. G. Ruiz, G. X. Zhang, B. Santra, X. Ren, M. Scheffler, and A. Tkatchenko, “Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response”, New J. Phys. 15, 053046 (2012).
17. F. Caruso, D. R. Rohr, M. Hellgren, X. Ren, P. Rinke, A. Rubio, and M. Scheffler, “ Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory”, Phys. Rev. Lett. 110, 146403 (2013).
16. N. Marom, F. Caruso, X. Ren, O. T. Hoffman, T. K¨orzd¨orfer, J. R. Chelikowsky, A. Rubio, M. Scheffler, and P. Rinke, “Benchmark of GW methods for azabenzenes”, Phys. Rev. B 86, 245127 (2012).
15. M. Casadei, X. Ren, P. Rinke, A. Rubio, and M. Scheffler, “Density-Functional Theory for f-Electron Systems: The α-γ Phase Transition in Cerium”, Phys. Rev. Lett. 109, 146402 (2012).
14. F. Caruso, P. Rinke, X. Ren, M. Scheffler, and A. Rubio, “Unified description of ground and excited states of finite systems: The self-consistent GW approach”, Phys. Rev. B 86, 081102(R) (2012).
13. X. Ren, P. Rinke, C. Joas, and M. Scheffler, Review article: “Random-phase approximation and its applications in computational chemistry and materials science”, J. Mater. Sci. 47, 7447 (2012).
12. X. Ren, P. Rinke, V. Blum, J. Wieferink, A. Tkatchenko, A. Sanfilippo, K. Reuter, and M. Scheffler, “Resolution-of-identity approach to HartreeFock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions”, New J. Phys. 14 053020 (2012).
11. J. Paier, X. Ren, P. Rinke, G. E. Scuseria, A. Gr¨uneis, G. Kresse, and M. Scheffler, “Assessment of correlation energies based on the random-phase approximation”, New. J. Phys. 14, 043002 (2012).
10. W. Liu, A. Savara, X. Ren, W. Ludwig, K.-H. Dostert, S. Schauermann, A. Tkatchenko, H.-J. Freund, and M. Scheffler, “Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed” on Pd(111)”, J. Phys. Chem. Lett. 3, 582 (2012).
9. N. Marom, J. E. Moussa, X. Ren, A. Tkatchenko, and J. R. Chelikowsky, “Electronic Structure of Dye-Sensitized TiO2 Clusters from Many-Body Perturbation Theory”, Phys. Rev. B 84, 245115 (2011) .
8. N. Marom, X. Ren, J. E. Moussa, J. R. Chelikowsky, L. Kronik, “Electronic Structure of Copper Phthalocyanine from G0W0”, Phys. Rev. B 84, 195143 (2011).
7. X. Ren, A. Tkatchenko, P. Rinke, and M. Scheffler, “Beyond the Random Phase Approximation: the Importance of Single excitations”, Phys. Rev. Lett., 106, 153003 (2011).
6. V. Blum, R. Gehrke, F. Hanke, P. Havu, V. Havu, X. Ren, K. Reuter, and M. Scheffler, “Ab initio molecular simulations with numeric atom-centered orbitals”, Comp. Phys. Comm., 180, 2175 (2009).
5. X. Ren, P. Rinke, and M. Scheffler, “Exploring the random phase approximation: Application to CO adsorbed on Cu(111)”, Phys. Rev. B 80, 045402 (2009).
4. X. Ren, I. Leonov, G. Keller, M. Kollar, I. Nekrasov, and D. Vollhardt, “LDA+DMFT computation of the electronic spectrum of NiO”, Phys. Rev. B 74, 195114 (2006).
3. G. Keller, K. Held, V. Eyert, V.I. Anisimov, K. Byczuk, M. Kollar, I. Leonov, X. Ren, D. Vollhardt, “Realistic Modeling of Materials with Strongly Correlated Electrons”, NIC Series, Vol 32 (2006).
2. V. I. Anisimov, D. E. Kondakov, A. V. Kozhevnikov, I. A. Nekrasov, Z. V. Pchelkina, J. W. Allen, S.-K. Mo, H.-D. Kim, P. Metcalf, S. Suga, A. Sekiyama, G. Keller, I. Leonov, X. Ren and D. Vollhardt, “Full orbital calculation scheme for materials with strongly correlated electrons”, Phys. Rev. B 71, 125119 (2005).
1. Xinguo Ren, Shijie Yang, Yue Yu, and Zhaobing Su, “Phase transition from bubble state to stripe state for two-dimensional electrons in high Landau levels”, J. Phys.: Condensed Matter 14, 3931 (2002).