Laura E. Ratcliff

Imperial College London

United Kingdom

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Articles (14)

Year:

2025

Year:

2024

Year:

2024

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2023

Year:

2023

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2022

Year:

2022

Gas phase structures of 2CzPN extracted from molecular dynamics are used to investigate the effects of disorder on the core and valence states using density functional theory, and compared to experimental X-ray photoelectron spectroscopy.

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2021

Year:

2021

Year:

2021

Collaborators (10)

Martin Feneberg

Otto-von-Guericke Universität Magdeburg

GERMANY

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Stephan Mohr

Chief Scientific Officer

SPAIN

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Mervi Mantsinen

Research Professor at Barcelona Supercomputing Center

Instituciò Catalana de Recerca i Estudis Avancats

SPAIN

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Markus R. Wagner

Technische Universität Berlin

GERMANY

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Piero Mazzolini

Paul-Drude-Institut fur Festkorperelektronik

GERMANY

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Luigi Genovese

Université Grenoble Alpes

FRANCE

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Felix Nippert

Technische Universität Berlin

GERMANY

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Maria Basso

University of Padua

ITALY

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Andrew Cairns

Assistant Professor

Imperial College London

UNITED KINGDOM

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Anna Regoutz

Lecturer in Materials Chemistry

University College London

UNITED KINGDOM

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Laura E. Ratcliff

Research Interests

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Contact this professor

Articles (14)

A high throughput virtual screening approach for identifying new thermally activated delayed fluorescence-based emitters

Exploratory data science on supercomputers for quantum mechanical calculations

Revealing the Bonding Nature and Electronic Structure of Early-Transition-Metal Dihydrides

Rapid laser-induced low temperature crystallization of thermochromic VO2 sol-gel thin films

Complexity reduction in density functional theory: Locality in space and energy

Tackling Disorder in γ‐Ga2O3

Lifetime effects and satellites in the photoelectron spectrum of tungsten metal

Probing disorder in 2CzPN using core and valence states

Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems

Exploring metastable states in UO2 using hybrid functionals and dynamical mean field theory

Probing disorder in 2CzPN using core and valence states

Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]2 Catalysts

Thermal and oxidation stability of TixW1−x diffusion barriers investigated by soft and hard x-ray photoelectron spectroscopy

Multi-phonon proton transfer pathway in a molecular organic ferroelectric crystal

Collaborators (10)

Martin Feneberg

Stephan Mohr

Mervi Mantsinen

Markus R. Wagner

Piero Mazzolini

Luigi Genovese

Felix Nippert

Maria Basso

Andrew Cairns

Anna Regoutz

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