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Atomistic Electrodynamics-Quantum Mechanical Framework for Characterizing, Manipulating and Optimizing Nonlinear Optical Processes in 2D Materials

Objective

Two-dimensional (2D) materials, which include graphene, phosphorene, and transition metal dichalcogenides monolayers, exhibit extraordinary linear and nonlinear optical properties not attainable in bulk media. They find tremendous potentials in many photonic and optoelectronic applications, such as all-optical signal processing, optical amplification, nonlinear switching, optical microscopy, quantum detection, and sensing. The availability of first-principle, fast, efficient computer codes is a prerequisite to the bottom-up design of 2D materials. However, theoretical modeling of 2D materials faces great challenges as it needs to incorporate effects of finite size, edge truncation, periodic modulation, nonlocal, and quantum confinement. Here, we aim at developing atomistic electrodynamics-quantum mechanical theoretical models and implementing them in high-performance computing (HPC) software for characterizing, manipulating, and optimizing nonlinear optical processes (NOP) in 2D materials. The main objectives of this ambitious project are: (1) To develop a macroscopic electrodynamics approach for simulating NOP in 2D materials. (2) To develop an atomistic electrodynamics quantum mechanical framework for modeling NOP in 2D materials and compare the atomistic model to the macroscopic approach. (3) To develop user-friendly and reliable HPC software that seamlessly integrates and implements the theoretical models. (4) Using the software and theoretical models, emerging applications of 2D materials will be investigated, including solar cells, nonlinear microscopy, and biosensing. The project will have high impacts on: (1) advances in the science, technology, and industry of UK and Europe; (2) applicant’s future career development; (3) research, industrial, and transferrable knowledge exchange between the host and applicant; (4) design and commercialization of 2D material enabled devices; (5) training of students and researchers in several interdisciplinary disciplines.

Fields of science (EuroSciVoc)

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Programme(s)

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Topic(s)

Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.

Funding Scheme

Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.

MSCA-IF-EF-ST - Standard EF

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) H2020-MSCA-IF-2016

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Coordinator

UNIVERSITY COLLEGE LONDON
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 183 454,80
Address
GOWER STREET
WC1E 6BT LONDON
United Kingdom

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Region
London Inner London — West Camden and City of London
Activity type
Higher or Secondary Education Establishments
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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

€ 183 454,80
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