Jianwei Sun

20PUBLICATIONS
119CO-AUTHORS
Radiation and matterChemical thermodynamics and energeticsFunctional materialsTheoretical quantum chemistryStatistical mechanics in chemistry
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Publications (20)

|Mar 10, 2026
Electron localization in noncompact covalent bonds captured by the r<sup>2</sup>SCAN+<i>V</i> approach.

Yubo Zhang, Da Ke, Rohan Maniar

|Mar 04, 2026
Toward Chemical Accuracy for Chemi- and Physisorption with an Efficient Density Functional.

Manish Kothakonda, Abhirup Patra, Ruiqi Zhang

|Jan 02, 2025
Accurate DFT simulation of complex functional materials: Synergistic enhancements achieved by SCAN meta-GGA.

Da Ke, Jianwei Sun, Yubo Zhang

|Sep 23, 2024
Ab Initio Calculation of Coupling-Constant Averaged Exchange-Correlation Holes for Spherically Symmetric Atoms.

Lin Hou, Tom J P Irons, Yanyong Wang

|Jun 24, 2024
Perdew Festschrift editorial.

Kieron Burke, Jianwei Sun, Weitao Yang

|Apr 01, 2024
Challenges for density functional theory in simulating metal-metal singlet bonding: A case study of dimerized VO2.

Yubo Zhang, Da Ke, Junxiong Wu

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Frequent Collaborators

8 joint publications

James W Furness

4 joint publications

Jinliang Ning

4 joint publications

Andrew M Wibowo-Teale

4 joint publications

John P Perdew