Nguyen Vu Ha Anh

Trinity College Dublin — Ireland

Materials Science · Physical Sciences

7h-index450citations18works7.32yr avg
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Research Topics

X-ray Diffraction in Crystallography(9), Crystallization and Solubility Studies(8), Machine Learning in Materials Science(6), Advanced Chemical Physics Studies(4), Magnetism in coordination complexes(4)

Publications18 total

The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules
Science Advances·2025· 16 citedOpen Access
Charting Regions of Cobalt’s Chemical Space with Maximally Large Magnetic Anisotropy: A Computational High-Throughput Study
Journal of the American Chemical Society·2024· 13 citedOpen Access
Charting new regions of Cobalt's chemical space with maximally large magnetic anisotropy: A computational high-throughput study
arXiv (Cornell University)·2024Open Access
The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules
arXiv (Cornell University)·2024Open Access
The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry
Journal of Chemical Theory and Computation·2023· 290 citedOpen Access
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
2023· 1 citedOpen Access
The critical role of ultra-low-energy vibrations in the relaxation dynamics of molecular qubits
Nature Communications·2023· 51 citedOpen Access
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
2023· 15 citedOpen Access
Predicting tensorial molecular properties with equivariant machine learning models
Physical review. B./Physical review. B·2022· 45 citedOpen Access
CCDC 1980014: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1980008: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1980012: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1980013: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1980011: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1980010: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1980009: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1980015: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
Multiresponsive Spin Crossover Driven by Rotation of Tetraphenylborate Anion in an Iron(III) Complex
CCS Chemistry·2020· 19 citedOpen Access

Frequent Co-authors

Liviu Ungur(11), Si‐Guo Wu(9), Md. Najbul Hoque(9), Jie-Yu Zheng(9), Guo‐Zhang Huang(9), Wei‐Xiong Zhang(9), Zhao‐Ping Ni(9), Ming‐Liang Tong(9), Alessandro Lunghi(6), Lorenzo A. Mariano(4), Giovanni Li Manni(3), Ignacio Fdez. Galván(3), Ali Alavi(3), Flavia Aleotti(3), Francesco Aquilante(3), Jochen Autschbach(3), Davide Avagliano(3), Alberto Baiardi(3), Stefano Battaglia(3), Letitia Birnoschi(3)