The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: III. Selection of X@C60 Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Trapped Neutral Atom Quantum Computing Devices

2016 ◽  
Vol 5 (5) ◽  
pp. 697-703
Author(s):  
Aleksander Herman
Keyword(s):  
Quantum Computing ◽  
Neutral Atom ◽  
Quantum Computer ◽  
Building Blocks ◽  
Computer Implementation ◽  
Molecular Building Blocks ◽  
Selection Of

scholarly journals Redox Activity as a Powerful Strategy to Tune Magnetic and/or Conducting Properties in Benzoquinone-Based Metal-Organic Frameworks

2021 ◽  
Vol 7 (8) ◽  
pp. 109
Author(s):  
Noemi Monni ◽  
Mariangela Oggianu ◽  
Suchithra Ashoka Sahadevan ◽  
Maria Laura Mercuri
Keyword(s):  
Electrode Materials ◽  
Metal Organic Frameworks ◽  
Future Generation ◽  
Building Blocks ◽  
Redox Activity ◽  
Semiquinone Radical ◽  
Molecular Building Blocks ◽  
Redox Active ◽  
Metal Organic ◽  
Selection Of

Multifunctional molecular materials have attracted material scientists for several years as they are promising materials for the future generation of electronic devices. Careful selection of their molecular building blocks allows for the combination and/or even interplay of different physical properties in the same crystal lattice. Incorporation of redox activity in these networks is one of the most appealing and recent synthetic strategies used to enhance magnetic and/or conducting and/or optical properties. Quinone derivatives are excellent redox-active linkers, widely used for various applications such as electrode materials, flow batteries, pseudo-capacitors, etc. Quinones undergo a reversible two-electron redox reaction to form hydroquinone dianions via intermediate semiquinone radical formation. Moreover, the possibility to functionalize the six-membered ring of the quinone by various substituents/functional groups make them excellent molecular building blocks for the construction of multifunctional tunable metal-organic frameworks (MOFs). An overview of the recent advances on benzoquinone-based MOFs, with a particular focus on key examples where magnetic and/or conducting properties are tuned/switched, even simultaneously, by playing with redox activity, is herein envisioned.

scholarly journals Allosteric pathway selection in templated assembly

2019 ◽  
Vol 5 (10) ◽  
pp. eaaw3353 ◽  
Author(s):  
Martijn van Galen ◽  
Ruben Higler ◽  
Joris Sprakel
Keyword(s):  
Building Blocks ◽  
Supramolecular Interactions ◽  
High Fidelity ◽  
Self Assembling ◽  
Molecular Building Blocks ◽  
Large Numbers ◽  
Solution Aggregation ◽  
Allosteric Pathway ◽  
Insight Into ◽  
Selection Of

Assembling large numbers of molecular building blocks into functional nanostructures is no trivial task. It relies on guiding building blocks through complex energy landscapes shaped by synergistic and antagonistic supramolecular interactions. In nature, the use of molecular templates is a potent strategy to navigate the process to the desired structure with high fidelity. Yet, nature’s templating strategy remains to be fully exploited in man-made nanomaterials. Designing effective template-guided self-assembling systems can only be realized through precise insight into how the chemical design of building blocks and the resulting balance of repulsive and attractive forces give rise to pathway selection and suppression of trapped states. We develop a minimal model to unravel the kinetic pathways and pathway selection of the templated assembly of molecular building blocks on a template. We show how allosteric activation of the associative interactions can suppress undesired solution-aggregation pathways and gives rise to a true template-assembly path.

scholarly journals Noise in one-dimensional measurement-based quantum computing

2017 ◽  
Vol 17 (15&16) ◽  
pp. 1372-1397
Author(s):  
Nairi Usher ◽  
Dan E. Browne
Keyword(s):  
Quantum Computing ◽  
Quantum Computer ◽  
Cluster State ◽  
Building Blocks ◽  
Quantum Circuit ◽  
Matrix Product ◽  
One Dimensional ◽  
Matrix Product State ◽  
The Matrix ◽  
Correlation Space

Measurement-Based Quantum Computing (MBQC) is an alternative to the quantum circuit model, whereby the computation proceeds via measurements on an entangled resource state. Noise processes are a major experimental challenge to the construction of a quantum computer. Here, we investigate how noise processes affecting physical states affect the performed computation by considering MBQC on a one-dimensional cluster state. This allows us to break down the computation in a sequence of building blocks and map physical errors to logical errors. Next, we extend the Matrix Product State construction to mixed states (which is known as Matrix Product Operators) and once again map the effect of physical noise to logical noise acting within the correlation space. This approach allows us to consider more general errors than the conventional Pauli errors, and could be used in order to simulate noisy quantum computation.

Computation

2021 ◽  
pp. 168-222
Author(s):  
Jochen Rau
Keyword(s):  
Quantum Computing ◽  
Optimization Problems ◽  
Quantum Computer ◽  
Classical Case ◽  
Building Blocks ◽  
Quantum Circuit ◽  
Carry Over ◽  
Classical Computing ◽  
Classical Computer ◽  
Classical Optimization

This chapter introduces the basic building blocks of quantum computing and a variety of specific algorithms. It begins with a brief review of classical computing and discusses how its key elements – bits, gates, circuits – carry over to the quantum realm. It highlights crucial differences to the classical case, such as the impossibility of copying a qubit. The quantum circuit model is shown to be universal, and a peculiar variant of quantum computing, based on measurements only, is illustrated. That a quantum computer can perform some calculations more efficiently than a classical computer, at least in principle, is exemplified with the Deutsch-Jozsa algorithm. Other examples covered in this chapter are the variational quantum eigensolver, which can be applied to the study of molecules and classical optimization problems; quantum simulation; and entanglement-assisted metrology.

A First Principles Approach for Partitioning Linear Response Properties into Additive and Cooperative Contributions

2018 ◽  
Author(s):  
Daniel Lambrecht ◽  
Eric Berquist
Keyword(s):  
First Principles ◽  
Linear Response ◽  
Building Blocks ◽  
Field Method ◽  
Response Property ◽  
Response Properties ◽  
Consistent Field ◽  
Molecular Building Blocks ◽  
Self Consistent ◽  
Self Consistent Field

We present a first principles approach for decomposing molecular linear response properties into orthogonal (additive) plus non-orthogonal/cooperative contributions. This approach enables one to 1) identify the contributions of molecular building blocks like functional groups or monomer units to a given response property and 2) quantify cooperativity between these contributions. In analogy to the self consistent field method for molecular interactions, SCF(MI), we term our approach LR(MI). The theory, implementation and pilot data are described in detail in the manuscript and supporting information.

A new molecular building blocks: Synthesis, crystal structure, magnetic and spectroscopic properties of Cu(II) and Ni(II) macrocyclic complexes

Polyhedron ◽  
2011 ◽  
Vol 30 (15) ◽  
pp. 2550-2557 ◽  
Author(s):  
Katarzyna Suracka ◽  
Alina Bieńko ◽  
Jerzy Mroziński ◽  
Rafał Kruszyński ◽  
Dariusz Bieńko ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Building Blocks ◽  
Spectroscopic Properties ◽  
Macrocyclic Complexes ◽  
Molecular Building Blocks
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