Electrochemical deposition of chalcogenide semiconductor films: InSe and GeTe

Electrodeposition is a low cost, room temperature method for the deposition of semiconductor thin films. Using Electrochemical Atomic Layer Deposition (EALD) and Potential Pulse Atomic Layer Deposition (PPALD), films with atomic layer control can be achieved. By reducing one monolayer of one element onto the substrate, followed by a molecular layer of a second element, films of varying thicknesses can be made. These films can be used in such applications as photoanodes in solar cells or as a phase change material in computer memory.

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Technical study of an Egyptian Mummy Portrait in the Carlos Museum

This portrait of a young man was previously described as a “heavily restored pastiche” of “dubious authenticity.” Technical investigation reveals evidence of its ancient materials and its modern recreation. This study combines stylistic and iconographic evaluation with materials analysis and multispectral imaging to map the many fragments within this portrait and clarify their associations. This study reappraises the Carlos portrait to consider its place in the repertoire of 2nd century CE mummy portraits.

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Magnesium Incorporation and Exfoliation of Lanthanum and Calcium Hexaboride

Metal borides are a type of high-performance materials with various stoichiometries that are known for their properties such as high thermal and oxidative stability, mechanical strength and notably high melting points (above 2000 °C). These unique features, however, are also what make the borides challenging to process for industrial applications where often thin films for coatings are required.

Monte Carlo methods in ab initio quantum chemistry: FCIQMC and its precursors

Abstract: Monte Carlo methods have been used in quantum chemistry for decades to obtain high-accuracy solutions to the electronic Schrodinger equation. These stochastic methods are useful due to their arbitrary accuracy and ease of implementation compared to deterministic methods. The recently-developed full configuration interaction quantum Monte Carlo (FCIQMC) method [Nature, 2013, 493 (7432), 365–370] is perhaps the most promising of these methods to date due to its ability to avoid the pitfalls inherent in its predecessors.

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Using Lasers to Poke at Timescales in Simple and Complex Systems

Since their development in the 1960s, lasers have been used in a myriad of ways to study and influence chemical reactions. In this talk, three topics will be addressed: photodissociation, metallized polymers, and large-cluster reactivity. The role of the laser in probing and altering reaction timescales will be examined.

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Bootstrap Embedding: A Fragmentation Approach for Molecules

 

Abstract: Fragment embedding divides the description of a system into smaller and more cost-friendly pieces for computation. For systems with strong correlation, the challenge is to properly describe the entanglement effect of the environment on the embedded fragment. The recently developed Bootstrap Embedding [JCTC, 15, 4497 (2019)] uses overlapping fragments to improve fragment description at the edges,  and will be reviewed in this talk. 

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