Mingjie Liu

发表

Large-Scale Screening Reveals That Geometric Structure Matters More Than Electronic Structure in the Bioinspired Catalyst Design of Formate Dehydrogenase Mimics

Michael G. Taylor, H. Kulik, A. Steeves, 2021, ACS Catalysis.

Using Computational Chemistry To Reveal Nature’s Blueprints for Single-Site Catalysis of C–H Activation

H. Kulik, A. Nandy, Vyshnavi Vennelakanti, 2022, ACS Catalysis.

Selective Hydrogenation of Benzylidenethiazolidinedione Exocyclic Alkene with Anti-poisoning Nitrogen-Doped Carbon Supported Palladium Catalysts

Qilong Ren, Z. Bao, Zhiguo Zhang, 2023, Catalysis Letters.

Semi-grand canonical Monte Carlo simulation of the acrolein induced surface segregation and aggregation of AgPd with machine learning surrogate models.

J. Kitchin, Mingjie Liu, Yilin Yang, 2021, The Journal of chemical physics.

Dimensional Understanding of Boron-Based Catalysts for Oxidative Propane Dehydrogenation: Structure and Mechanism

Wenhao Xu, Xiaofeng Gao, Xianjie Zhou, 2023, ACS Catalysis.

Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion

Chenru Duan, Ilia Kevlishvili, Mingjie Liu, 2024, ACS Catalysis.

SingleNN: Modified Behler–Parrinello Neural Network with Shared Weights for Atomistic Simulations with Transferability

Mingjie Liu, John R. Kitchin, J. Kitchin, 2020 .

Unraveling Structure Sensitivity in the Photocatalytic Dehydrogenative C–C Coupling of Acetone to 2,5-Hexanedione over Pt/TiO2 Catalysts

Lili Lin, S. Ye, Jinjia Liu, 2023, ACS Catalysis.