Posts by Collection

[1] Ab initio calculations of phase behaviour and subsequent magnetostriciton in Fe_1-xGa_x within the disordered local moment picture

[2] Compositional phase stability in medium-entropy and high-entropy Cantor-Wu alloys from an ab initio all-electron, Landau-type theory and atomistic modelling

[3] Short-range order and compositional phase stability in refractory high-entropy alloys via first-principles theory and atomistic modeling: NbMoTa, NbMoTaW, and VNbMoTaW

[4] Interplay between magnetism and short-range order in medium- and high-entropy alloys: CrCoNi, CrFeCoNi, and CrMnFeCoNi

[5] Revisiting Néel 60 years on: the magnetic anisotropy of L1₀ FeNi (tetrataenite)

[6] Eat, Sleep, Code, Repeat: Tips for Early-Career Researchers in Computational Science

[7] A collinear-spin machine-learned interatomic potential for Fe₇Cr₂Ni alloy

[8] Competition between phase ordering and phase segregation in the Ti_xNbMoTaW and Ti_xVNbMoTaW refractory high-entropy alloys

[1] Modelling Atomic Arrangements in Multicomponent Alloys: A Perturbative, First-Principles-Based Approach

[9] Structure, short-range order, and phase stability of the Al_xCrFeCoNi high-entropy alloy: Insights from a perturbative, DFT-based analysis

[10] Integrated ab initio modelling of atomic ordering and magnetic anisotropy for design of FeNi-based magnets

[1] Short-Range Order in High-Entropy Alloys: First Principles Theory and Atomistic Modelling

[1] Short-Range Order in High-Entropy Alloys: First Principles Theory and Atomistic Modelling

[2] Short-Range Order in Refractory High-Entropy Alloys: First Principles Theory and Atomistic Modelling

[3] Short-Range Order in High-Entropy Superalloys: First Principles Theory and Atomistic Modelling

[2] Magnetism Matters: Modelling Atomic Arrangements in NiCoCr

[3] Interplay Between Magnetism and Short-Range Order in Ni-Based High-Entropy Alloys: CrCoNi, CrFeCoNi, and CrMnFeCoNi

[4] Tuning $L1_0$ Order and Magnetocrystalline Anisotropy in Rare-Earth-Free Transition Metal Magnets: an Integrated, First Principles Approach

[5] Jumping the Gap: Can Tetrataenite Become a ‘Hard’ Permanent Magnet?

[6] Magnetism Matters: Modelling Atomic Arrangements in Multicomponent Alloys

[4] Magnetism Matters: Modelling Atomic Arrangements in Multicomponent Alloys

[1] Modelling Atomic Arrangements in Multicomponent Alloys: A First-Principles-Based Approach

[7] Connections Between Magnetism and Preferred Atomic Arrangements in Multicomponent Alloys: Insights From An All-Electron Linear Response Theory

[2] A (Spin) Polarised World: Multiscale Modelling of Magnetic Materials for Energy Applications

[8] Designing Rare-Earth-Free Permanent Magnets: Modelling the Effect of Alloying Additions on Atomic Arrangements and Subsequent Magnetic Anisotropy in L1₀ FeNi

[9] Predictive Modelling of the Structure and Phase Stability of High-Entropy Materials: Case Study of Al_xCrFeCoNi

[3] Mind the Gap: The Case for Developing L1₀ FeNi (Tetrataenite) as a ‘Hard’ Permanent Magnet

[5] Connecting atomic ordering with magnetic properties at both zero and finite temperature in FeNi alloys

[10] Modelling Atomic Ordering and Magnetocrystalline Anisotropy in L1₀ FeNi (Tetrataenite)

[4] Maximal Disorder: Using the Coherent Potential Approximation to Study the Phase Behaviour of High-Entropy Alloys

[11] Using the Coherent Potential Approximation and DFT to Examine the Phase Behaviour of High-Entropy Alloys: Case Study of Al_xCrFeCoNi.

[12] Modelling Multicomponent Alloys Across Length Scales: Insights from an Interdisciplinary Approach

[5] Concentration waves in high-entropy alloys: Probing the (meta)stability of complex solid solutions within a DFT- based modelling framework

Supervisor to two groups of first year undergraduates within the Mathematics Institute at the University of Warwick. Tasks included marking of assignments and meeting with each group once a week for a formal supervision. Supervisions at Warwick are small group sessions to which students can bring any problems they are having with course content and go through solutions to problem sheets.

Demonstrator for computational workshops within the HetSys CDT. Covered PX911 "Multiscale Modelling Methods & Applications I" (Density Functional Theory and Molecular Dynamics) and PX912 "Multiscale Modelling Methods & Applications II" (continuum modelling).

Demonstrator for first year (PX159) and second year (PX281) undergraduate programming workships, teaching basic Python and use of associated scientific libraries.

Guest Lecturer for a graduate lecture course in the Centre for Doctoral Training (CDT) in Modelling of Heterogeneous Systems (HetSys). Gave a lecture in module PX918 "Electronic structure theory for experiments and models", covering the electronic structure of metals and alloys.