Nicholas M Harrison

12PUBLICATIONS
27CO-AUTHORS
Theory and design of materialsTheoretical quantum chemistryElemental semiconductorsOptical properties of materialsChemical thermodynamics and energetics
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Publications (12)

|Oct 23, 2026
Predictive Modeling of Paracetamol Polymorphs: Linking Basis Set and Hamiltonian Effects to an Optimized Quasi-Harmonic Lattice Dynamics Workflow.

|Oct 01, 2025
Influences of Basis Set and Electronic Exchange-Correlation on Low-Frequency Vibrations and Stability of Paracetamol Polymorphs.

Huanyu Zhou, Giuseppe Mallia, Nicholas M Harrison

|Aug 26, 2025
Probing defect formation in sulfur-annealed graphene for TMDC integration.

Ahmad Nizamuddin Muhammad Mustafa, Victoria Greenacre, Huanyu Zhou

|Jun 25, 2025
The quantum origin of magnetic coupling in molecular crystals for spintronics.

James Broadhurst, Giuseppe Mallia, Nicholas Harrison

|May 14, 2025
Ab initio simulation of molecular crystal regrowth of paracetamol from solution.

Huanyu Zhou, Giuseppe Mallia, Nicholas M Harrison

|Sep 16, 2024
A prediction of high temperature magnetic coupling in transition metal phthalocyanines.

James Broadhurst, Giuseppe Mallia, Nicholas Harrison

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Frequent Collaborators

9 joint publications

Giuseppe Mallia

5 joint publications

Huanyu Zhou

2 joint publications

James Broadhurst

1 joint publications

R M Fogarty