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Ultra-fast control of magnetic relaxation in a periodically driven Hubbard model
Juan Jose Mendoza-Arenas, Fernando Javier Gomez-Ruiz, Martin Eckstein, Dieter Jaksch, Stephen R. Clark
Oct 11, 2017
Motivated by cold atom and ultra-fast pump-probe experiments we study the melting of long-range antiferromagnetic order of a perfect N\'eel state in a periodically driven repulsive Hubbard model. The dynamics is calculated for a...
Ultra-fast control of magnetic relaxation in a periodically driven Hubbard model
Juan Jose Mendoza-Arenas, Fernando Javier Gomez-Ruiz, Martin Eckstein, Dieter Jaksch, Stephen R. Clark
Oct 11, 2017
Motivated by cold atom and ultra-fast pump-probe experiments we study the melting of long-range antiferromagnetic order of a perfect N\'eel state in a periodically driven repulsive Hubbard model. The dynamics is calculated for a...
Minimal Design Principles for Icosahedral Virus Capsids.
The geometrical structures of single- and multiple-shell icosahedral virus capsids are reproduced as the targets that minimize the cost corresponding to relatively simple design functions. Capsid subunits are first identified as...
Las Bexareñas and Their Wills
Amy M. Porter
Nov 04, 2022
The women of San Fernando de Béxar (modern-day San Antonio, Texas) on the northern edge of New Spain faced the many challenges of frontier life. The belongings of these women were limited compared to that of women in other parts...
Published by: Digital Commons @ Texas A&M University-San Antonio
Expressive voting with booing and cheering
Previous work on Expressive Voting has focused on the desire of voters to express what they are for and thus who they are. But, often also as important, is the desire of voters to express what they are against, and who they are...
Expressive voting with booing and cheering
Previous work on Expressive Voting has focused on the desire of voters to express what they are for and thus who they are. But, often also as important, is the desire of voters to express what they are against, and who they are...
Computational simulation of the lifetime of the methoxymethyl cation in water. A simple model for a glycosyl cation
A two-dimensional free-energy surface is constructed for transfer of the methoxymethyl cation between two water molecules. These atoms are treated quantum mechanically within a box of >1000 classical solvent water molecules...
Computational simulation of the lifetime of the methoxymethyl cation in water. A simple model for a glycosyl cation
A two-dimensional free-energy surface is constructed for transfer of the methoxymethyl cation between two water molecules. These atoms are treated quantum mechanically within a box of >1000 classical solvent water molecules...
Voter heterogeneity and political corruption
We show that policies that eliminate corruption can depart from socially desirable policies and this inefficiency can be large enough to allow corruption to live on. Political competition between an honest (welfare maximiser)...
Does glycosyl transfer involve an oxacarbenium intermediate? Computational simulation of the lifetime of the methoxymethyl cation in water
2D free-energy surfaces for transfer of the methoxymethyl cation between two water molecules are constructed from molecular dynamics (MD) simulations in which these atoms are treated quantum-mechanically within a box of 1030...
Voter heterogeneity and political corruption
We show that policies that eliminate corruption can depart from socially desirable policies and this inefficiency can be large enough to allow corruption to live on. Political competition between an honest (welfare maximiser)...
QM/MM kinetic isotope effects for chloromethane hydrolysis in water
Computational simulations for chloromethane hydrolysis have been performed using hybrid quantum-mechanical/molecular-mechanical methods with explicit solvation by large numbers of water molecules. In the first part of the...
QM/MM kinetic isotope effects for chloromethane hydrolysis in water
Computational simulations for chloromethane hydrolysis have been performed using hybrid quantum-mechanical/molecular-mechanical methods with explicit solvation by large numbers of water molecules. In the first part of the...
Does glycosyl transfer involve an oxacarbenium intermediate? Computational simulation of the lifetime of the methoxymethyl cation in water
2D free-energy surfaces for transfer of the methoxymethyl cation between two water molecules are constructed from molecular dynamics (MD) simulations in which these atoms are treated quantum-mechanically within a box of 1030...
QM/MM simulations for methyl transfer in solution and catalysed by COMT
Sampling of structures from QM/MM molecular dynamics reveals distinct families of reactant-state conformers and yields kinetic isotope effects for reactions in enzyme active sites and in solution, averaged over thermal...
QM/MM simulations for methyl transfer in solution and catalysed by COMT
Sampling of structures from QM/MM molecular dynamics reveals distinct families of reactant-state conformers and yields kinetic isotope effects for reactions in enzyme active sites and in solution, averaged over thermal...
Mechanism of glycoside hydrolysis
Computational simulations have been performed using hybrid quantum-mechanical/molecular-mechanical potentials to investigate the catalytic mechanism of the retaining endo-beta-1, 4-xylanase (BCX) from B. circulans....
Mechanism of glycoside hydrolysis
Computational simulations have been performed using hybrid quantum-mechanical/molecular-mechanical potentials to investigate the catalytic mechanism of the retaining endo-beta-1, 4-xylanase (BCX) from B. circulans....
Downsizing the BAD BH3 peptide to small constrained α-helices with improved ligand efficiency
Nicholas E. Shepperd, Rosemary S. Harrison, Gloria Ruiz-Gomez, Giovanni Abbenante, Jody M. Mason, David P. Fairlie
Dec 14, 2016
Bcl2 Homology (BH) proteins can either trigger or prevent programmed cell death or apoptosis. Deregulation of the BH protein family network leads to evasion of apoptosis, uncontrolled proliferation and is a hallmark of cancer....
Downsizing the BAD BH3 peptide to small constrained α-helices with improved ligand efficiency
Nicholas E. Shepperd, Rosemary S. Harrison, Gloria Ruiz-Gomez, Giovanni Abbenante, Jody M. Mason, David P. Fairlie
Dec 14, 2016
Bcl2 Homology (BH) proteins can either trigger or prevent programmed cell death or apoptosis. Deregulation of the BH protein family network leads to evasion of apoptosis, uncontrolled proliferation and is a hallmark of cancer....
Epigenetic and transcriptomic reprogramming in monocytes of severe COVID-19 patients reflects alterations in myeloid differentiation and the influence of inflammatory cytokines.
Gerard Godoy-Tena, Anis Barmada, Octavio Morante-Palacios, Carlos de la Calle-Fabregat, Ricardo Martins-Ferreira, Anna G Ferreté-Bonastre, Laura Ciudad, Adolfo Ruiz-Sanmartín, Mónica Martínez-Gallo, Ricard Ferrer, Juan Carlos Ruiz-Rodriguez, Javier Rodríguez-Ubreva, Roser Vento-Tormo, Esteban Ballestar
Nov 29, 2022
BACKGROUND: COVID-19 manifests with a wide spectrum of clinical phenotypes, ranging from asymptomatic and mild to severe and critical. Severe and critical COVID-19 patients are characterized by marked changes in the myeloid...
The VARILEX Project - Spanish Lexical Variation
Spanish is a multinational language, spoken in very different geographical regions,that is developing with surprising vitality. Due to distance, there are many issuesthat cannot be adequately addressed by a small number of...
Published by: Atlantic Provinces Linguistic Association
Music, Subjects, Creativity
Emma Ruiz Martin del Campo
Oct 29, 2013
Published by: Faculty of Education
Unbinned multivariate observables for global SMEFT analyses from machine learning
Abstract
Theoretical interpretations of particle physics data, such as the determination of the Wilson coefficients of the Standard Model Effective Field...
The VARILEX Project - Spanish Lexical Variation
Spanish is a multinational language, spoken in very different geographical regions,that is developing with surprising vitality. Due to distance, there are many issuesthat cannot be adequately addressed by a small number of...
Published by: Atlantic Provinces Linguistic Association
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