Yizhi Xu

Rudjer Boskovic Institute — Croatia

Chemistry · Physical Sciences

4h-index77citations12works1.02yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(10), X-ray Diffraction in Crystallography(7), Machine Learning in Materials Science(6), Zeolite Catalysis and Synthesis(3), Crystallography and molecular interactions(2)

Publications12 total

Hierarchical Crystal Structure Prediction of Zeolitic Imidazolate Frameworks Using DFT and Machine-Learned Interatomic Potentials
ArXiv.org·2026Open Access
Hierarchical Crystal Structure Prediction of Zeolitic Imidazolate Frameworks Using DFT and Machine-Learned Interatomic Potentials
arXiv (Cornell University)·2026Open Access
Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks Using Structure-Directing Liquid Additives
Journal of the American Chemical Society·2025· 3 citedOpen Access
Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks using Structure-Directing Liquid Additives
2025· 1 citedOpen Access
Experimental and Theoretical Evaluation of the Thermodynamics of the Carbonation Reaction of ZIF-8 and Its Close-Packed Polymorph with Carbon Dioxide
The Journal of Physical Chemistry C·2023· 4 citedOpen Access
Experimentally validated <i>ab initio</i> crystal structure prediction of novel metal–organic framework materials
Acta Crystallographica Section A Foundations and Advances·2023
Hirshfeld atom refinement of metal-organic frameworks for accurate positioning of hydrogen atoms and disorder analysis
2023Open Access
Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal–Organic Framework Materials
Journal of the American Chemical Society·2023· 38 citedOpen Access
Hirshfeld atom refinement of metal–organic frameworks for accurate positioning of hydrogen atoms and disorder analysis
Chemical Communications·2023· 6 cited
CCDC 2083499: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Experimentally-validated ab initio crystal structure prediction of novel metal-organic framework materials
2022· 3 citedOpen Access
Mechanochemical Synthesis of Polymorphic Urea ⋅ Adipic Acid Cocrystal as a Sustained‐Release Nitrogen Source
ChemSusChem·2021· 22 cited

Frequent Co-authors

Mihails Arhangelskis(12), Tomislav Friščić(6), Ivana Brekalo(6), Joseph M. Marrett(5), James P. Darby(5), Katarina Lisac(4), Hatem M. Titi(3), Shalika Parakatawella(2), Diptajyoti Gogoi(2), Poonam Deka(2), Chanaka Sandaruwan(2), Anil C. A. Jayasundera(2), Ranjit Thakuria(2), Nadeesh M. Adassooriya(2), Michał Leszek Chodkiewicz(2), Damian Trzybiński(2), Filip Topić(2), Krzysztof Woźniak(2), Joseph R. Ramirez(2), Petra Pongrac(2)