Xiaosong Li (X Li)

ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 133

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

The journal of physical chemistry. A

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Scott M Garner, Shiv Upadhyay, Xiaosong Li, Sharon Hammes-Schiffer
Nuclear-Electronic Orbital Time-Dependent Configuration Interaction Method. The journal of physical chemistry letters 15 (23) (2024)
Hao Li, Tian Wang, Jiaojiao Han, Ying Xu, Xi Kang, Xiaosong Li, Man-Zhou Zhu
Fluorescence resonance energy transfer in atomically precise metal nanoclusters by cocrystallization-induced spatial confinement. Nature communications 15 (1) (2024)
Linghua Zhu, Senwei Liang, Chao Yang, Xiaosong Li
Optimizing Shot Assignment in Variational Quantum Eigensolver Measurement. Journal of chemical theory and computation (2024)
Mikael Kovtun, Eleftherios Lambros, Aodong Liu, Diandong Tang, David B Williams-Young, Xiaosong Li
Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units. Journal of chemical theory and computation (2024)
Pyosang Kim, Subhangi Roy, Andrew J S Valentine, Xiaolin Liu, Sarah Kromer, Tae Wu Kim, Xiaosong Li, Felix N Castellano, Lin X Chen
Real-time capture of nuclear motions influencing photoinduced electron transfer. Chemical science (2024)
Can Liao, Chad E Hoyer, Rahoul Banerjee Ghosh, Andrew J Jenkins, Stefan Knecht, Michael J Frisch, Xiaosong Li
Comparison of Variational and Perturbative Spin-Orbit Coupling within Two-Component CASSCF. The journal of physical chemistry. A 128 (12) (2024)
Haruko Tateyama, Andrew C Boggiano, Can Liao, Kaitlyn S Otte, Xiaosong Li, Henry S La Pierre
Tetravalent Cerium Alkyl and Benzyl Complexes. Journal of the American Chemical Society 146 (15) (2024)
Hao Li, Tian Wang, Jiaojiao Han, Ying Xu, Xi Kang, Xiaosong Li, Man-Zhou Zhu
Fluorescence resonance energy transfer in atomically precise metal nanoclusters by cocrystallization-induced spatial confinement. Nature communications 15 (1) (2024)
Can Liao, Chad E Hoyer, Rahoul Banerjee Ghosh, Andrew J Jenkins, Stefan Knecht, Michael J Frisch, Xiaosong Li
Comparison of Variational and Perturbative Spin-Orbit Coupling within Two-Component CASSCF. The journal of physical chemistry. A (2024)
Jordan N Ehrman, Kirill Shumilov, Andrew J Jenkins, Joseph M Kasper, Tonya Vitova, Enrique R Batista, Ping Yang, Xiaosong Li
Unveiling Hidden Shake-Up Features in the Uranyl M 4 -Edge Spectrum. JACS Au 4 (3) (2024)
Chad E Hoyer, Can Liao, Kirill D Shumilov, Tianyuan Zhang, Xiaosong Li
State Interaction for Relativistic Four-Component Methods: Choose the Right Zeroth-Order Hamiltonian for Late-Row Elements. Journal of chemical theory and computation (2024)
Shuai Li, Lixin Lu, Swarnendu Bhattacharyya, Carolyn I Pearce, Kai Li, Emily T Nienhuis, Gilles Doumy, Richard D Schaller, Stefan Moeller, Ming-Fu Lin, G Dakovski, David J Hoffman, Douglas Garratt, Kirk A Larsen, Jake D Koralek, C Y Hampton, D Cesar, Joseph Duris, Zhen Zhang, Nicholas Sudar, James P Cryan, Agostino Marinelli, Xiaosong Li, Ludger Inhester, Robin Santra, Linda Young
Attosecond-pump attosecond-probe x-ray spectroscopy of liquid water. Science (New York, N.Y.) 383 (6687) (2024)
Haruko Tateyama, Andrew C Boggiano, Can Liao, Kaitlyn S Otte, Xiaosong Li, Henry S La Pierre
Tetravalent Cerium Alkyl and Benzyl Complexes. Journal of the American Chemical Society 146 (15) (2024)
Shuai Li, Lixin Lu, Swarnendu Bhattacharyya, Carolyn I Pearce, Kai Li, Emily T Nienhuis, Gilles Doumy, Richard D Schaller, Stefan Moeller, Ming-Fu Lin, G Dakovski, David J Hoffman, Douglas Garratt, Kirk A Larsen, Jake D Koralek, C Y Hampton, D Cesar, Joseph Duris, Zhen Zhang, Nicholas Sudar, James P Cryan, Agostino Marinelli, Xiaosong Li, Ludger Inhester, Robin Santra, Linda Young
Attosecond-pump attosecond-probe x-ray spectroscopy of liquid water. Science (New York, N.Y.) (2024)
Shichao Sun, Bing Gu, Hang Hu, Lixin Lu, Diandong Tang, Vladimir Y Chernyak, Xiaosong Li, Shaul Mukamel
Direct Probe of Conical Intersection Photochemistry by Time-Resolved X-ray Magnetic Circular Dichroism. Journal of the American Chemical Society (2024)
Haruko Tateyama, Andrew C Boggiano, Can Liao, Kaitlyn S Otte, Xiaosong Li, Henry S La Pierre
Tetravalent Cerium Alkyl and Benzyl Complexes. Journal of the American Chemical Society 146 (15) (2024)
Eleftherios Lambros, Jonathan H Fetherolf, Sharon Hammes-Schiffer, Xiaosong Li
A Many-Body Perspective of Nuclear Quantum Effects in Aqueous Clusters. The journal of physical chemistry letters (2024)
Michael W Mara, Nicholas P Weingartz, Denis Leshchev, Darren J Hsu, Andrew Valentine, Alexis Mills, Subhangi Roy, Arnab Chakraborty, Pyosang Kim, Elisa Biasin, Kristoffer Haldrup, Matthew S Kirschner, Dolev Rimmerman, Matthieu Chollet, James M Glownia, Tim Brandt van Driel, Felix N Castellano, Xiaosong Li, Lin X Chen
Deciphering Charge Transfer Processes in Transition Metal Complexes from the Perspective of Ultrafast Electronic and Nuclear Motions. The journal of physical chemistry letters 15 (19) (2024)
Eleftherios Lambros, Jonathan H Fetherolf, Sharon Hammes-Schiffer, Xiaosong Li
A Many-Body Perspective of Nuclear Quantum Effects in Aqueous Clusters. The journal of physical chemistry letters 15 (15) (2024)
Pyosang Kim, Subhangi Roy, Andrew J S Valentine, Xiaolin Liu, Sarah Kromer, Tae Wu Kim, Xiaosong Li, Felix N Castellano, Lin X Chen
Real-time capture of nuclear motions influencing photoinduced electron transfer. Chemical science (2024)
Haruko Tateyama, Andrew C Boggiano, Can Liao, Kaitlyn S Otte, Xiaosong Li, Henry S La Pierre
Tetravalent Cerium Alkyl and Benzyl Complexes. Journal of the American Chemical Society 146 (15) (2024)
Michael W Mara, Nicholas P Weingartz, Denis Leshchev, Darren J Hsu, Andrew Valentine, Alexis Mills, Subhangi Roy, Arnab Chakraborty, Pyosang Kim, Elisa Biasin, Kristoffer Haldrup, Matthew S Kirschner, Dolev Rimmerman, Matthieu Chollet, James M Glownia, Tim Brandt van Driel, Felix N Castellano, Xiaosong Li, Lin X Chen
Deciphering Charge Transfer Processes in Transition Metal Complexes from the Perspective of Ultrafast Electronic and Nuclear Motions. The journal of physical chemistry letters (2024)
Soren F Sandeno, Kyle J Schnitzenbaumer, Sebastian M Krajewski, Ryan A Beck, Dylan M Ladd, Kelsey R Levine, Damara G Dayton, Michael F Toney, Werner Kaminsky, Xiaosong Li, Brandi M Cossairt
Ligand Steric Profile Tunes the Reactivity of Indium Phosphide Clusters. Journal of the American Chemical Society 146 (5) (2024)
Tianyuan Zhang, Samragni Banerjee, Lauren N Koulias, Edward F Valeev, A Eugene DePrince Iii, Xiaosong Li
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory. The journal of physical chemistry. A (2024)
Kirill D Shumilov, Andrew J Jenkins, Henry S La Pierre, Bess Vlaisavljevich, Xiaosong Li
Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency. Journal of the American Chemical Society (2024)
Kirill D Shumilov, Andrew J Jenkins, Henry S La Pierre, Bess Vlaisavljevich, Xiaosong Li
Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency. Journal of the American Chemical Society 146 (17) (2024)
Soren F Sandeno, Kyle J Schnitzenbaumer, Sebastian M Krajewski, Ryan A Beck, Dylan M Ladd, Kelsey R Levine, Damara G Dayton, Michael F Toney, Werner Kaminsky, Xiaosong Li, Brandi M Cossairt
Ligand Steric Profile Tunes the Reactivity of Indium Phosphide Clusters. Journal of the American Chemical Society (2024)
Hao Li, Tian Wang, Jiaojiao Han, Ying Xu, Xi Kang, Xiaosong Li, Man-Zhou Zhu
Fluorescence resonance energy transfer in atomically precise metal nanoclusters by cocrystallization-induced spatial confinement. Nature communications 15 (1) (2024)
Haruko Tateyama, Andrew C Boggiano, Can Liao, Kaitlyn S Otte, Xiaosong Li, Henry S La Pierre
Tetravalent Cerium Alkyl and Benzyl Complexes. Journal of the American Chemical Society (2024)
Stephen H Yuwono, Run R Li, Tianyuan Zhang, Kshitijkumar A Surjuse, Edward F Valeev, Xiaosong Li, A Eugene DePrince Iii
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections. The journal of physical chemistry. A 128 (31) (2024)
Soren F Sandeno, Kyle J Schnitzenbaumer, Sebastian M Krajewski, Ryan A Beck, Dylan M Ladd, Kelsey R Levine, Damara G Dayton, Michael F Toney, Werner Kaminsky, Xiaosong Li, Brandi M Cossairt
Ligand Steric Profile Tunes the Reactivity of Indium Phosphide Clusters. Journal of the American Chemical Society (2024)
Linghua Zhu, Senwei Liang, Chao Yang, Xiaosong Li
Optimizing Shot Assignment in Variational Quantum Eigensolver Measurement. Journal of chemical theory and computation 20 (6) (2024)
Jordan N Ehrman, Kirill Shumilov, Andrew J Jenkins, Joseph M Kasper, Tonya Vitova, Enrique R Batista, Ping Yang, Xiaosong Li
Unveiling Hidden Shake-Up Features in the Uranyl M 4 -Edge Spectrum. JACS Au 4 (3) (2024)
Tianyuan Zhang, Samragni Banerjee, Lauren N Koulias, Edward F Valeev, A Eugene DePrince Iii, Xiaosong Li
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory. The journal of physical chemistry. A 128 (17) (2024)
Shichao Sun, Bing Gu, Hang Hu, Lixin Lu, Diandong Tang, Vladimir Y Chernyak, Xiaosong Li, Shaul Mukamel
Direct Probe of Conical Intersection Photochemistry by Time-Resolved X-ray Magnetic Circular Dichroism. Journal of the American Chemical Society 146 (29) (2024)
Stephen H Yuwono, Run R Li, Tianyuan Zhang, Kshitijkumar A Surjuse, Edward F Valeev, Xiaosong Li, A Eugene DePrince Iii
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections. The journal of physical chemistry. A (2024)
Soren F Sandeno, Sebastian M Krajewski, Ryan A Beck, Werner Kaminsky, Xiaosong Li, Brandi M Cossairt
Synthesis and Single Crystal X-ray Diffraction Structure of an Indium Arsenide Nanocluster. ACS central science 10 (3) (2024)
Soren F Sandeno, Sebastian M Krajewski, Ryan A Beck, Werner Kaminsky, Xiaosong Li, Brandi M Cossairt
Synthesis and Single Crystal X-ray Diffraction Structure of an Indium Arsenide Nanocluster. ACS central science 10 (3) (2024)
Scott M Garner, Shiv Upadhyay, Xiaosong Li, Sharon Hammes-Schiffer
Nuclear-Electronic Orbital Time-Dependent Configuration Interaction Method. The journal of physical chemistry letters (2024)
Aodong Liu, Tianyuan Zhang, Sharon Hammes-Schiffer, Xiaosong Li
Multicomponent Cholesky Decomposition: Application to Nuclear-Electronic Orbital Theory. Journal of chemical theory and computation (2023)
Ryan A Beck, Yue Huang, Alessio Petrone, Joseph W Abbott, Peter J Pauzauskie, Xiaosong Li
Electronic Structures and Spectroscopic Signatures of Noble-Gas-Doped Nanodiamonds. ACS physical chemistry Au 3 (3) (2023)
Forrest W Eagle, Samantha Harvey, Ryan A Beck, Xiaosong Li, Daniel R Gamelin, Brandi M Cossairt
Enhanced Charge Transfer from Coinage Metal Doped InP Quantum Dots. ACS nanoscience Au 3 (6) (2023)
Chad E Hoyer, Lixin Lu, Hang Hu, Kirill D Shumilov, Shichao Sun, Stefan Knecht, Xiaosong Li
Correlated Dirac-Coulomb-Breit multiconfigurational self-consistent-field methods. The Journal of chemical physics 158 (4) (2023)
Eleftherios Lambros, Benjamin Link, Mathew Chow, Sharon Hammes-Schiffer, Xiaosong Li
Solvent Induced Proton Polarization within the Nuclear-Electronic Orbital Framework. The journal of physical chemistry letters (2023)
Can Liao, Eleftherios Lambros, Qiming Sun, Kenneth G Dyall, Xiaosong Li
Exploring Locality in Molecular Dirac-Coulomb-Breit Calculations: A Perspective. Journal of chemical theory and computation (2023)
Can Liao, Joseph M Kasper, Andrew J Jenkins, Ping Yang, Enrique R Batista, Michael J Frisch, Xiaosong Li
State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives. JACS Au 3 (2) (2023)
Can Liao, Joseph M Kasper, Andrew J Jenkins, Ping Yang, Enrique R Batista, Michael J Frisch, Xiaosong Li
State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives. JACS Au 3 (2) (2023)
Rosa Di Felice, Maricris L Mayes, Ryan M Richard, David B Williams-Young, Garnet Kin-Lic Chan, Wibe A de Jong, Niranjan Govind, Martin Head-Gordon, Matthew R Hermes, Karol Kowalski, Xiaosong Li, Hans Lischka, Karl T Mueller, Erdal Mutlu, Anders M N Niklasson, Mark R Pederson, Bo Peng, Ron Shepard, Edward F Valeev, Mark van Schilfgaarde, Bess Vlaisavljevich, Theresa L Windus, Sotiris S Xantheas, Xing Zhang, Paul M Zimmerman
A Perspective on Sustainable Computational Chemistry Software Development and Integration. Journal of chemical theory and computation (2023)
Can Liao, Man-Zhou Zhu, De-En Jiang, Xiaosong Li
Manifestation of the interplay between spin-orbit and Jahn-Teller effects in Au 25 superatom UV-Vis fingerprint spectra. Chemical science 14 (18) (2023)
Xiaolin Liu, Dugan Hayes, Lin X Chen, Xiaosong Li
Bridge-Mediated Metal-to-Metal Electron and Hole Transfer in a Supermolecular Dinuclear Complex: A Computational Study Using Quantum Electron-Nuclear Dynamics. The journal of physical chemistry. A 127 (8) (2023)
Shichao Sun, Jordan N Ehrman, Tianyuan Zhang, Qiming Sun, Kenneth G Dyall, Xiaosong Li
Scalar Breit interaction for molecular calculations. The Journal of chemical physics 158 (17) (2023)
Sramana Kundu, Hang Hu, Xiaosong Li, Micah J Schaible, Thomas M Orlando
Electron scattering with ethane adsorbed on rare gas multilayers: Hole transfer, coulomb decay, and ion dissociation. The Journal of chemical physics 158 (12) (2023)
Jordan Ehrman, Ernesto Martinez-Baez, Andrew J Jenkins, Xiaosong Li
Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac-Coulomb-Breit-Parameterized Effective Spin-Orbit Coupling. Journal of chemical theory and computation (2023)
Mathew Chow, Eleftherios Lambros, Xiaosong Li, Sharon Hammes-Schiffer
Nuclear-Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics. Journal of chemical theory and computation (2023)
Eleftherios Lambros, Benjamin Link, Mathew Chow, Filippo Lipparini, Sharon Hammes-Schiffer, Xiaosong Li
Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics. The journal of physical chemistry. A (2023)
Can Liao, Man-Zhou Zhu, De-En Jiang, Xiaosong Li
Manifestation of the interplay between spin-orbit and Jahn-Teller effects in Au 25 superatom UV-Vis fingerprint spectra. Chemical science 14 (18) (2023)
Nayon Park, Ryan A Beck, Kevin K Hoang, Dylan M Ladd, Jared E Abramson, Ricardo A Rivera-Maldonado, Hao A Nguyen, Madison Monahan, Gerald T Seidler, Michael F Toney, Xiaosong Li, Brandi M Cossairt
Colloidal, Room-Temperature Growth of Metal Oxide Shells on InP Quantum Dots. Inorganic chemistry (2023)
Xiaolin Liu, Dugan Hayes, Lin X Chen, Xiaosong Li
Bridge-Mediated Metal-to-Metal Electron and Hole Transfer in a Supermolecular Dinuclear Complex: A Computational Study Using Quantum Electron-Nuclear Dynamics. The journal of physical chemistry. A (2023)
Chad E Hoyer, Hang Hu, Lixin Lu, Stefan Knecht, Xiaosong Li
Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group. The journal of physical chemistry. A 126 (30) (2022)
Fulvio Perrella, Xiaosong Li, Alessio Petrone, Nadia Rega
Nature of the Ultrafast Interligands Electron Transfers in Dye-Sensitized Solar Cells. JACS Au 3 (1) (2022)
Matthew C Drummer, Ravindra B Weerasooriya, Nikita Gupta, Erik J Askins, Xiaolin Liu, Andrew J S Valentine, Xiaosong Li, Ksenija D Glusac
Proton-Coupled Electron Transfer in a Ruthenium(II) Bipyrimidine Complex in Its Ground and Excited Electronic States. The journal of physical chemistry. A 126 (27) (2022)
Fulvio Perrella, Xiaosong Li, Alessio Petrone, Nadia Rega
Nature of the Ultrafast Interligands Electron Transfers in Dye-Sensitized Solar Cells. JACS Au 3 (1) (2022)
Lixin Lu, Hang Hu, Andrew J Jenkins, Xiaosong Li
Exact-Two-Component Relativistic Multireference Second-Order Perturbation Theory. Journal of chemical theory and computation 18 (5) (2022)
Joseph M Kasper, Xiaosong Li, Stosh Anthony Kozimor, Enrique R Batista, Ping Yang
Relativistic Effects in Modeling the Ligand K-Edge X-ray Absorption Near-Edge Structure of Uranium Complexes. Journal of chemical theory and computation 18 (4) (2022)
Alexis W Mills, Joshua J Goings, David Beck, Chao Yang, Xiaosong Li
Exploring Potential Energy Surfaces Using Reinforcement Machine Learning. Journal of chemical information and modeling 62 (13) (2022)
Andrew Wildman, Zhen Tao, Luning Zhao, Sharon Hammes-Schiffer, Xiaosong Li
Correction to "Solvated Nuclear-Electronic Orbital Structure and Dynamics". Journal of chemical theory and computation 19 (1) (2022)
Michael W Mara, Brian T Phelan, Zhu-Lin Xie, Tae Wu Kim, Darren J Hsu, Xiaolin Liu, Andrew J S Valentine, Pyosang Kim, Xiaosong Li, Shin-Ichi Adachi, Tetsuo Katayama, Karen L Mulfort, Lin X Chen
Unveiling ultrafast dynamics in bridged bimetallic complexes using optical and X-ray transient absorption spectroscopies. Chemical science 13 (6) (2022)
Aodong Liu, Mathew Chow, Andrew Wildman, Michael J Frisch, Sharon Hammes-Schiffer, Xiaosong Li
Simultaneous Optimization of Nuclear-Electronic Orbitals. The journal of physical chemistry. A 126 (39) (2022)
Pyosang Kim, Andrew J S Valentine, Subhangi Roy, Alexis W Mills, Felix N Castellano, Xiaosong Li, Lin X Chen
Ultrafast branching in intersystem crossing dynamics revealed by coherent vibrational wavepacket motions in a bimetallic Pt(II) complex. Faraday discussions 237 (0) (2022)
Prachi Sharma, Andrew J Jenkins, Giovanni Scalmani, Michael J Frisch, Donald G Truhlar, Soumen Ghosh, Xiaosong Li
Exact-Two-Component Multiconfiguration Pair-Density Functional Theory. Journal of chemical theory and computation 18 (5) (2022)
Adam Grofe, Xiaosong Li
Relativistic nonorthogonal configuration interaction: application to L 2,3 -edge X-ray spectroscopy. Physical chemistry chemical physics : PCCP 24 (18) (2022)
Andrew Wildman, Zhen Tao, Luning Zhao, Sharon Hammes-Schiffer, Xiaosong Li
Solvated Nuclear-Electronic Orbital Structure and Dynamics. Journal of chemical theory and computation 18 (3) (2022)
Andrew J S Valentine, Xiaosong Li
Intersystem Crossings in Late-Row Elements: A Perspective. The journal of physical chemistry letters 13 (13) (2022)
Ryan A Beck, Lixin Lu, Peter V Sushko, Xiaodong Xu, Xiaosong Li
Defect-Induced Magnetic Skyrmion in a Two-Dimensional Chromium Triiodide Monolayer. JACS Au 1 (9) (2021)
Luning Zhao, Andrew Wildman, Fabijan Pavošević, John C Tully, Sharon Hammes-Schiffer, Xiaosong Li
Correction to "Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics". The journal of physical chemistry letters 12 (19) (2021)
Pyosang Kim, Andrew J S Valentine, Subhangi Roy, Alexis W Mills, Arnab Chakraborty, Felix N Castellano, Xiaosong Li, Lin X Chen
Ultrafast Excited-State Dynamics of Photoluminescent Pt(II) Dimers Probed by a Coherent Vibrational Wavepacket. The journal of physical chemistry letters 12 (29) (2021)
Vinícius Wilian D Cruzeiro, Andrew Wildman, Xiaosong Li, Francesco Paesani
Relationship between Hydrogen-Bonding Motifs and the 1b1 Splitting in the X-ray Emission Spectrum of Liquid Water. The journal of physical chemistry letters 12 (16) (2021)
Megan L Shelby, Andrew Wildman, Dugan Hayes, Michael W Mara, Patrick J Lestrange, Marco Cammarata, Lodovico Balducci, Maxim Artamonov, Henrik Till Lemke, Diling Zhu, Tamar Seideman, Brian M Hoffman, Xiaosong Li, Lin X Chen
Interplays of electron and nuclear motions along CO dissociation trajectory in myoglobin revealed by ultrafast X-rays and quantum dynamics calculations. Proceedings of the National Academy of Sciences of the United States of America 118 (14) (2021)
Tianyuan Zhang, Xiaolin Liu, Edward F Valeev, Xiaosong Li
Toward the Minimal Floating Operation Count Cholesky Decomposition of Electron Repulsion Integrals. The journal of physical chemistry. A 125 (19) (2021)
Brandon C Cooper, Lauren N Koulias, Daniel R Nascimento, Xiaosong Li, A Eugene DePrince Iii
Short Iterative Lanczos Integration in Time-Dependent Equation-of-Motion Coupled-Cluster Theory. The journal of physical chemistry. A 125 (24) (2021)
Joshua J Goings, Hang Hu, Chao Yang, Xiaosong Li
Reinforcement Learning Configuration Interaction. Journal of chemical theory and computation 17 (9) (2021)
Andrew J Jenkins, Hang Hu, Lixin Lu, Michael J Frisch, Xiaosong Li
Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L-Edge X-ray Absorption Spectra. Journal of chemical theory and computation 18 (1) (2021)
Jose J Araujo, Carl K Brozek, Hongbin Liu, Anna Merkulova, Xiaosong Li, Daniel R Gamelin
Tunable Band-Edge Potentials and Charge Storage in Colloidal Tin-Doped Indium Oxide (ITO) Nanocrystals. ACS nano 15 (9) (2021)
Alexis W Mills, Andrew J S Valentine, Kevin Hoang, Subhangi Roy, Felix N Castellano, Lin X Chen, Xiaosong Li
General Design Rules for Bimetallic Platinum(II) Complexes. The journal of physical chemistry. A 125 (43) (2021)
Shichao Sun, Torin F Stetina, Tianyuan Zhang, Hang Hu, Edward F Valeev, Qiming Sun, Xiaosong Li
Efficient Four-Component Dirac-Coulomb-Gaunt Hartree-Fock in the Pauli Spinor Representation. Journal of chemical theory and computation 17 (6) (2021)
Tiancheng Song, Eric Anderson, Matisse Wei-Yuan Tu, Kyle Seyler, Takashi Taniguchi, Kenji Watanabe, Michael A McGuire, Xiaosong Li, Ting Cao, Di Xiao, Wang Yao, Xiaodong Xu
Spin photovoltaic effect in magnetic van der Waals heterostructures. Science advances 7 (36) (2021)
Luning Zhao, Andrew Wildman, Fabijan Pavošević, John C Tully, Sharon Hammes-Schiffer, Xiaosong Li
Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics. The journal of physical chemistry letters 12 (14) (2021)
Hang Hu, Andrew J Jenkins, Hongbin Liu, Joseph M Kasper, Michael J Frisch, Xiaosong Li
Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space. Journal of chemical theory and computation 16 (5) (2020)
Andrew J Jenkins, Hongbin Liu, Joseph M Kasper, Michael J Frisch, Xiaosong Li
Correction to "Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method". Journal of chemical theory and computation 16 (5) (2020)
Adam Grofe, Ruoqi Zhao, Andrew Wildman, Torin F Stetina, Xiaosong Li, Peng Bao, Jiali Gao
Generalization of Block-Localized Wave Function for Constrained Optimization of Excited Determinants. Journal of chemical theory and computation 17 (1) (2020)
Luning Zhao, Zhen Tao, Fabijan Pavošević, Andrew Wildman, Sharon Hammes-Schiffer, Xiaosong Li
Real-Time Time-Dependent Nuclear-Electronic Orbital Approach: Dynamics beyond the Born-Oppenheimer Approximation. The journal of physical chemistry letters 11 (10) (2020)
Xiaosong Li, Niranjan Govind, Christine M Isborn, A Eugene DePrince Iii, Kenneth Lopata
Real-Time Time-Dependent Electronic Structure Theory. Chemical reviews 120 (18) (2020)
Brant M Jones, Hang Hu, Alexandr Alexsandrov, William Smith, Aurora E Clark, Xiaosong Li, Thomas M Orlando
Efficient Intermolecular Energy Exchange and Soft Ionization of Water at Nanoplatelet Interfaces. The journal of physical chemistry letters 11 (23) (2020)
Lixin Lu, Andrew Wildman, Andrew J Jenkins, Linda Young, Aurora E Clark, Xiaosong Li
The "Hole" Story in Ionized Water from the Perspective of Ehrenfest Dynamics. The journal of physical chemistry letters 11 (22) (2020)
Joseph M Kasper, Daniel R Gamelin, Xiaosong Li
Theoretical investigation of quantum confinement on the Rashba effect in ZnO semiconductor nanocrystals. The Journal of chemical physics 152 (1) (2020)
Fabijan Pavošević, Zhen Tao, Tanner Culpitt, Luning Zhao, Xiaosong Li, Sharon Hammes-Schiffer
Frequency and Time Domain Nuclear-Electronic Orbital Equation-of-Motion Coupled Cluster Methods: Combination Bands and Electronic-Protonic Double Excitations. The journal of physical chemistry letters 11 (15) (2020)
Charles H Wolstenholme, Hang Hu, Songtao Ye, Brian E Funk, Divya Jain, Chia-Heng Hsiung, Gang Ning, Yu Liu, Xiaosong Li, Zhang Xin
AggFluor: Fluorogenic Toolbox Enables Direct Visualization of the Multi-Step Protein Aggregation Process in Live Cells. Journal of the American Chemical Society 142 (41) (2020)
Gowri U Kuda-Singappulige, Andrew Wildman, David B Lingerfelt, Xiaosong Li, Christine M Aikens
Ultrafast Nonradiative Decay of a Dipolar Plasmon-like State in Naphthalene. The journal of physical chemistry. A 124 (47) (2020)
Shichao Sun, Xiaosong Li
Relativistic Effects in Magnetic Circular Dichroism: Restricted Magnetic Balance and Temperature Dependence. Journal of chemical theory and computation 16 (7) (2020)
Joseph M Kasper, Xiaosong Li
Natural transition orbitals for complex two-component excited state calculations. Journal of computational chemistry 41 (16) (2020)

Xiaosong Li.css-eqlu8i{font-size:small;padding-left:4px;} (X Li)

Publication Activity (10 Years)

Top Topics

Top Venues

Xiaosong Li (X Li)