Ghent University Academic Bibliography

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The tale of HORTON : lessons learned in a decade of scientific software development

Matthew Chan, Toon Verstraelen (UGent) , Alireza Tehrani, Michelle Richer, Xiaotian Derrick Yang, Taewon David Kim, Esteban Vöhringer-Martinez, Farnaz Heidar Zadeh (UGent) and Paul W. Ayers

(2024) JOURNAL OF CHEMICAL PHYSICS. 160(16).
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Narrow homogeneous linewidths and slow cooling dynamics across infrared intra-band transitions in n-doped HgSe colloidal quantum dots

Ashley M. Stingel, Jari Leemans, Zeger Hens (UGent) , Pieter Geiregat (UGent) and Poul B. Petersen

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(11).
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A roadmap to decipher ultrafast photophysics in two-dimensional nanomaterials

Pieter Schiettecatte (UGent) , Zeger Hens (UGent) and Pieter Geiregat (UGent)

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(1).
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Development of accurate potentials for the physisorption of water on graphene

Jelle Vekeman (UGent) , Inmaculada García Cuesta, Noelia Faginas-Lago, José Sánchez-Marín and Alfredo M. J. Sánchez de Merás

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(2).
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The significance of fluctuating charges for molecular polarizability and dispersion coefficients

YingXing Cheng (UGent) and Toon Verstraelen (UGent)

(2023) JOURNAL OF CHEMICAL PHYSICS. 159(9).
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A step toward correct interpretation of XPS results in metal oxides : a case study aided by first-principles method in ZnO

Jin Li (UGent) , Michael Nolan and Christophe Detavernier (UGent)

(2023) JOURNAL OF CHEMICAL PHYSICS. 159(3).
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Constrained iterative Hirshfeld charges : a variational approach

Leila Pujal, Maximilian Van Zyl, Esteban Vöhringer-Martinez, Toon Verstraelen (UGent) , Patrick Bultinck (UGent) , Paul W. Ayers and Farnaz Heidar-Zadeh

(2022) JOURNAL OF CHEMICAL PHYSICS. 156(19).
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Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field

Charles-Émile Fecteau (UGent) , Samuel Cloutier, Jean-David Moisset, Jeremy Boulay, Patrick Bultinck (UGent) , Alexandre Faribault and Paul A. Johnson

(2022) JOURNAL OF CHEMICAL PHYSICS. 156(19).
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Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures

Xeno De Vriendt (UGent) , Daria Van Hende (UGent) , Stijn De Baerdemacker (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2022) JOURNAL OF CHEMICAL PHYSICS. 156(24).
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A new framework for frequency-dependent polarizable force fields

YingXing Cheng (UGent) and Toon Verstraelen (UGent)

(2022) JOURNAL OF CHEMICAL PHYSICS. 157(12).

Academic Bibliography

The tale of HORTON : lessons learned in a decade of scientific software development

Narrow homogeneous linewidths and slow cooling dynamics across infrared intra-band transitions in n-doped HgSe colloidal quantum dots

A roadmap to decipher ultrafast photophysics in two-dimensional nanomaterials

Development of accurate potentials for the physisorption of water on graphene

The significance of fluctuating charges for molecular polarizability and dispersion coefficients

A step toward correct interpretation of XPS results in metal oxides : a case study aided by first-principles method in ZnO

Constrained iterative Hirshfeld charges : a variational approach

Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field

Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures

A new framework for frequency-dependent polarizable force fields

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