Xinguo Ren

University of Science and Technology of China — China

Physics and Astronomy · Physical Sciences

34h-index8.4kcitations138works4.72yr avg
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Research Topics

Advanced Chemical Physics Studies(81), Machine Learning in Materials Science(37), Spectroscopy and Quantum Chemical Studies(20), X-ray Diffraction in Crystallography(12), Graphene research and applications(9)

Publications138 total

Self-Consistent Random Phase Approximation from Projective Truncation Approximation Formalism
arXiv (Cornell University)·2025Open Access
ABACUS: An electronic structure analysis package for the AI era
The Journal of Chemical Physics·2025· 2 cited
Introduction to the fifth-rung density functional approximations: concept, formulation, and applications
Electronic Structure·2025Open Access
Analytical Gradients of Random-Phase Approximation Plus Corrections from Renormalized Single Excitations
Journal of Chemical Theory and Computation·2025
A finite-element Delta-Sternheimer approach for accurate all-electron RPA correlation energies of arbitrary molecules
arXiv (Cornell University)·2025Open Access
Applying Space-Group Symmetry to Speed Up Hybrid-Functional Calculations within the Framework of Numerical Atomic Orbitals
Journal of Chemical Theory and Computation·2025· 1 cited
Gas–Solid Reaction Dynamics on Li<sub>6</sub>PS<sub>5</sub>Cl Surfaces: A Case Study of the Influence of CO<sub>2</sub> and CO<sub>2</sub>/O<sub>2</sub> Atmospheres Using AIMD and MLFF Simulations
ACS Applied Energy Materials·2025· 2 cited
Analytical gradients of random-phase approximation plus corrections from renormalized single excitations
arXiv (Cornell University)·2025Open Access
Gas-solid Reaction Dynamics on Li$_6$PS$_5$Cl Surfaces: A Case Study of the Influence of CO$_2$ and CO$_2$/O$_2$ Atmospheres Using AIMD and MLFF Simulations
arXiv (Cornell University)·2025Open Access
Correction to “Assessing the <i>G</i><sub>0</sub><i>W</i><sub>0</sub><i>Γ</i><sub>0</sub><sup>(1)</sup> Approach: Beyond <i>G</i><sub>0</sub><i>W</i><sub>0</sub> with Hedin’s Full Second-Order Self-Energy Contribution”
Journal of Chemical Theory and Computation·2025
Applying Space-Group Symmetry to Speed up Hybrid-Functional Calculations within the Framework of Numerical Atomic Orbitals
arXiv (Cornell University)·2025Open Access
Direct minimization on the complex Stiefel manifold in Kohn-Sham density functional theory for finite and extended systems
Computer Physics Communications·2025
Efficient Hybrid-Functional-Based Force and Stress Calculations for Periodic Systems with Thousands of Atoms
Journal of Chemical Theory and Computation·2025· 3 cited
Mechanistic insights into temperature effects for ionic conductivity in Li<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si6.svg" display="inline" id="d1e319"><mml:msub><mml:mrow/><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:math>PS<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si7.svg" display="inline" id="d1e327"><mml:msub><mml:mrow/><mml:mrow><mml:mn>5</mml:mn></mml:mrow></mml:msub></mml:math>Cl
Journal of Power Sources·2025· 1 cited
ABACUS: An Electronic Structure Analysis Package for the AI Era
arXiv (Cornell University)·2025· 1 citedOpen Access
LibRPA: A software package for low-scaling first-principles calculations of random phase approximation electron correlation energy based on numerical atomic orbitals
Computer Physics Communications·2025· 3 cited
All-Electron BSE@GW Method with Numeric Atom-Centered Orbitals for Extended Periodic Systems
Journal of Chemical Theory and Computation·2024· 8 cited
A deep equivariant neural network approach for efficient hybrid density functional calculations
Nature Communications·2024· 25 citedOpen Access
Efficient Structural Relaxation Based on the Random Phase Approximation: Applications to Water Clusters
The Journal of Physical Chemistry A·2024· 5 cited
Geometric and electronic structures of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Cs</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi>B</mml:mi></mml:mrow><mml:mrow><mml:msup><mml:mi>B</mml:mi><mml:mo>′</mml:mo></mml:msup><mml:msub><mml:mi>X</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math> double perovskites: The importance of exact exchange
Physical Review Research·2024· 10 citedOpen Access
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Frequent Co-authors

Matthias Scheffler(25), Patrick Rinke(22), Lixin He(11), Fabio Caruso(8), Ángel Rubio(8), Peize Lin(8), Volker Blüm(7), Alexandre Tkatchenko(6), Noa Marom(6), James R. Chelikowsky(4), Igor Ying Zhang(4), Jürgen Wieferink(3), Thomas Körzdörfer(3), Karsten Reuter(2), Lin Lin(2), Chao Yang(2), I. A. Nekrasov(2), G. Keller(2), I. Leonov(2), D. Vollhardt(2)