Kai-Xuan Chen (Kaixuan Chen)

ResearcherID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 12

Top Venues

The journal of physical chemistry letters

Inorganic chemistry

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

RWTH Aachen University

Sun Yat-Sen University (PHD)

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

Affiliation History

RWTH Aachen University

Germany

Humboldt Research Fellowship for Postdoctoral Researchers :: Institute of Inorganic Chemistry

Education History

Sun Yat-Sen University

China

PHD :: School of Chemical Engineering and Technology

Publications

Elliot C Rossomme, Leonardo A Cunha, Wan-Lu Li, Kai-Xuan Chen, Alexandra R McIsaac, Teresa Head-Gordon, Martin Head-Gordon
The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory. Journal of chemical theory and computation 19 (10) (2023)
Elliot C Rossomme, Leonardo A Cunha, Wan-Lu Li, Kai-Xuan Chen, Alexandra R McIsaac, Teresa Head-Gordon, Martin Head-Gordon
The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory. Journal of chemical theory and computation (2023)
Wan-Lu Li, Kai-Xuan Chen, Elliot C Rossomme, Martin Head-Gordon, Teresa Head-Gordon
Greater transferability and accuracy of norm-conserving pseudopotentials using nonlinear core corrections. Chemical science 14 (39) (2023)
Zhi-Yong Luo, Dong Wang, Kai-Xuan Chen, Lingqi Huang, Xiangyang Liu, Qi Zhang, Kun Zhang, Shiping Zhu
Metal Oxy-Hydroxides with a Hierarchical and Hollow Structure for Highly Efficient Solar-Thermal Water Evaporation. ACS applied materials & interfaces 13 (23) (2021)
Xianji Qiao, Kai-Xuan Chen, Alex J Corkett, Damian Mroz, Xiao-Ying Huang, Ruimin Wang, Ryky Nelson, Richard Dronskowski
Synthesis, Crystal Structure, Symmetry Relationships, and Electronic Structure of Bismuth Carbodiimide Bi2(NCN)3 and Its Ammonia Adduct Bi2(NCN)3·NH3. Inorganic chemistry 60 (17) (2021)
Wan-Lu Li, Christianna N Lininger, Kai-Xuan Chen, Valerie Vaissier Welborn, Elliot Rossomme, Alexis T Bell, Martin Head-Gordon, Teresa Head-Gordon
Critical Role of Thermal Fluctuations for CO Binding on Electrocatalytic Metal Surfaces. JACS Au 1 (10) (2021)
Wan-Lu Li, Kai-Xuan Chen, Elliot Rossomme, Martin Head-Gordon, Teresa Head-Gordon
Optimized Pseudopotentials and Basis Sets for Semiempirical Density Functional Theory for Electrocatalysis Applications. The journal of physical chemistry letters 12 (42) (2021)
Kai-Xuan Chen, Wan-Lu Li, Teresa Head-Gordon
Linear Combination of Atomic Dipoles to Calculate the Bond and Molecular Dipole Moments of Molecules and Molecular Liquids. The journal of physical chemistry letters 12 (51) (2021)
Kai-Xuan Chen, Marcus Fehse, Angelica Laurita, Jeethu Jiju Arayamparambil, Moulay Tahar Sougrati, Lorenzo Stievano, Richard Dronskowski
Quantum-Chemical Study of the FeNCN Conversion-Reaction Mechanism in Lithium- and Sodium-Ion Batteries. Angewandte Chemie (International ed. in English) 59 (9) (2020)
Zili Ma, Kai-Xuan Chen, Aleksander Jaworski, Jianhong Chen, Anna Rokicińska, Piotr Kuśtrowski, Richard Dronskowski, Adam Slabon
Structural Properties of NdTiO2+xN1-x and Its Application as Photoanode. Inorganic chemistry 60 (2) (2020)
Kai-Xuan Chen, Richard Dronskowski
First-Principles Study of Divalent 3d Transition-Metal Carbodiimides. The journal of physical chemistry. A 123 (43) (2019)
Kai-Xuan Chen, Shu-Shen Lyu, Zhi-Yong Luo, Yuan-Xiang Fu, Yi Heng, Dong-Chuan Mo
Theoretical design of a new family of two-dimensional topological insulators. Physical chemistry chemical physics : PCCP 19 (11) (2018)

Kai-Xuan Chen.css-eqlu8i{font-size:small;padding-left:4px;} (Kaixuan Chen)

Publication Activity (10 Years)

Top Topics

Top Venues

Kai-Xuan Chen (Kaixuan Chen)