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Category: Publications Archive
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  • Publications Archive

    Publications of August 2018

    Nonlinear biases, stochastically sampled effective Hamiltonians, and spectral functions in quantum Monte Carlo methods

     

    Nick S. Blunt, Ali Alavi, George H. Booth

    Developing a framework for the efficient design and management of large scale marine protected areas

     

    James Nikitine, Terence Peter Dawson, Meriwether Wilson

    On the hydration structure of the pro-drug GPG-NH 2 and its derivatives

     

    Paul Smith, Nicola Steinke, John F.C. Turner, Sylvia E. Mclain, Christian D. Lorenz

    Spillover systems in a telecoupled Anthropocene: typology, methods, and governance for global sustainability

     

    Jianguo Liu, Yue Dou, Mateus Batistella, Edward Challies, Thomas Connor, Cecilie Friis, James DA Millington, Esther Parish, Chelsie L Romulo, Ramon Felipe Bicudo Silva, Heather Triezenberg, Hongbo Yang, Zhiqiang Zhao, Karl S Zimmerer, Falk Huettmann, Michael L Treglia, Zeenatul Basher, Min Gon Chung, Anna Herzberger, Andrea Lenschow, Altaaf Mechiche-Alami, Jens Newig, James Roche, Jing Sun

    Magnetic Properties of chromium-doped Ni80Fe20 thin films

     

    Alex Devonport, Alena Vishina, R.K. Singh, Matthew Edwards, Kaiwen Zheng, John Domenico, N.D. Rizzo, Cameron Kopas, Mark van Schilfgaarde, N. Newman

    Publications of July 2018

    Response Formalism within Full Configuration Interaction Quantum Monte Carlo

     

    Pradipta Kumar Samanta, Nick S. Blunt, George H. Booth

    Re-evaluating how charge transfer modifies the conformation of adsorbed molecules

     

    P.J. Blowey, Simone Velari, L.A. Rochford, D.A. Duncan, D.A. Warr, T.-L. Lee, Alessandro De Vita, G Costantini, D.P. Woodruff

    ALIX Regulates Tumor-Mediated Immunosuppression by Controlling EGFR Activity and PD-L1 Presentation

     

    James Monypenny, Hanna Milewicz, Fabian Flores-Borja, Gregory Weitsman, Anthony Cheung, Ruhe Chowdhury, Thomas Burgoyne, Appitha Arulappu, Katherine Lawler, Paul R. Barber, Jose M. Vicencio, Melanie Keppler, Wahyu Wulaningsih, Sean M. Davidson, Franca Fraternali, Natalie Woodman, Mark Turmaine, Cheryl Gillett, Dafne Franz, Sergio A. Quezada, Clare E. Futter, Alex Von Kriegsheim, Walter Kolch, Borivoj Vojnovic, Jeremy G. Carlton, Tony Ng

    Nonadiabatic dynamics of electrons and atoms under nonequilibrium conditions

     

    L. Kantorovich

    Specific cardiolipinÐSecY interactions are required for proton-motive force stimulation of protein secretion

     

    Robin A. Corey, Euan Pyle, William J. Allen, Daniel W. Watkins, Marina Casiraghi, Bruno Miroux, Ignacio Arechaga, Argyris Politis, Ian Collinson

    Universality of the weak pushed-to-pulled transition in systems with repulsive interactions

     

    Fabio Deelan Cunden, Paolo Facchi, Marilena Ligabo’, Pierpaolo Vivo

    Giant faraday rotation in graphene metamolecules due to plasmonic coupling

     

    Jian Qiang Liu, Shan Wu, Yu Xiu Zhou, Meng Dong He, Anatoly V. Zayats

    Circular dichroism enhancement in plasmonic nanorod metamaterials

     

    D. Vestler, I. Shishkin, E. A. Gurvitz, M. E. Nasir, A. Ben-Moshe, A. P. Slobozhanyuk, A. V. Krasavin, T. Levi-Belenkova, A. S. Shalin, P. Ginzburg, G. Markovich, A. V. Zayats

    Directional scattering from particles under evanescent wave illumination

     

    Lei Wei, Michela Florinda Picardi, Jack Jamie Kingsley-Smith, Anatoly Zayats, Francisco Jose Rodriguez Fortuno

    Publications of June 2018

    Limiting relaxation times from Markov state models

     

    Adam Kells, Alessia Annibale, Edina Rosta

    Building machine learning force fields for nanoclusters

     

    Claudio Zeni, Kevin Rossi, Aldo Glielmo, Adam Fekete, Nicola Gaston, Francesca Chiara Maria Baletto, Alessandro De Vita

    Molecular Filters for Noise Reduction

     

    Luca Laurenti, Attila Csikasz-Nagy, Marta Kwiatkowska, Luca Cardelli

    BRepertoire: a user-friendly web server for analysing antibody repertoire data.

     

    Christian Margreitter, Hui-Chun Lu, Catherine Louise Townsend, Alexander Stewart, Deborah Kay Dunn-Walters, Franca Fraternali

    Structural model for fluctuations in financial markets

     

    Kartik Anand, Jonathan Khedair, Reimer KŸhn

    Spectral properties of the trap model on sparse networks

     

    Riccardo Giuseppe Margiotta, Reimer Kuehn, Peter Kurt Sollich

    Towards optimised drug delivery

     

    Yussif Saaka, Daniel T Allen, Yuvared Luangwitchajaroen, Yanan Shao, Richard A Campbell, Christian D Lorenz, M Jayne Lawrence

    On the hydration structure of the pro-drug GPG-NH 2 and its derivatives

     

    Paul Smith, Nicola Steinke, John F.C. Turner, Sylvia E. Mclain, Christian D. Lorenz

    Proline and Water Stabilization of a Universal Two-Step Folding Mechanism for Beta-Turn Formation in Solution

     

    Nicola Steinke, Anna Genina, Richard J Gillams, Christian D Lorenz, Sylvia E McLain

    PRODAN differentially influences its local environment

     

    Adam Suhaj, Alix Le Marois, David J Williamson, Klaus Suhling, Christian D Lorenz, Dylan M Owen

    Glycerol solvates DPPC headgroups and localises in the interfacial regions of model pulmonary interfaces altering bilayer structure

     

    Wachirun Terakosolphan, Jemma L. Trick, Paul G. Royall, Sarah E. Rogers, Olimpia Lamberti, Christian D. Lorenz, Ben Forbes, Richard D Harvey

    Spillover systems in a telecoupled Anthropocene: typology, methods, and governance for global sustainability

     

    Jianguo Liu, Yue Dou, Mateus Batistella, Edward Challies, Thomas Connor, Cecilie Friis, James DA Millington, Esther Parish, Chelsie L Romulo, Ramon Felipe Bicudo Silva, Heather Triezenberg, Hongbo Yang, Zhiqiang Zhao, Karl S Zimmerer, Falk Huettmann, Michael L Treglia, Zeenatul Basher, Min Gon Chung, Anna Herzberger, Andrea Lenschow, Altaaf Mechiche-Alami, Jens Newig, James Roche, Jing Sun

    On the existence of thermodynamically stable rigid solids

     

    Parswa Nath, Saswati Ganguly, JŸrgen Horbach, Peter Sollich, Smarajit Karmakar, Surajit Sengupta

    Metal-Insulator Transition in Copper Oxides Induced by Apex Displacements

     

    Swagata Acharya, CŽdric Weber, Evgeny Plekhanov, Dimitar Pashov, A. Taraphder, Mark Van Schilfgaarde

    Magnetic Properties of chromium-doped Ni80Fe20 thin films

     

    Alex Devonport, Alena Vishina, R.K. Singh, Matthew Edwards, Kaiwen Zheng, John Domenico, N.D. Rizzo, Cameron Kopas, Mark van Schilfgaarde, N. Newman

    How well does the ‘small fire boost’ methodology used within the GFED4.1s fire emissions database allow it to represent the timing, location and magnitude of agricultural burning?

     

    Tianran Zhang, Martin J. Wooster, Mark C. De Jong, Weidong Xu

     

     

     

    Publications of May 2018

    Efficient nonparametric n-body force fields from machine learning

     

    Aldo Glielmo, Claudio Zeni, Alessandro De Vita

    Inhibitor-induced HER2-HER3 heterodimerisation promotes proliferation through a novel dimer interface

     

    Jeroen Claus, Gargi Surendra Patel, Flavia Autore, Audrey Carine Colomba, Gregory Weitsman, Tanya N. Soliman, Selene K. Roberts, Laura Carolina Zanetti Domingues, Michael Hirsch, Francesca Collu, Roger George, Elena Ortiz-Zapater, Paul R. Barber, Borivoj Vojnovic, Yosef Yarden, Marisa Martin-Fernandez, Angus Cameron, Franca Fraternali, Tony Tsz-cheong Ng, Peter Joseph Jacques Parker

    Structural model for fluctuations in financial markets

     

    Kartik Anand, Jonathan Khedair, Reimer Kühn

    Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity

     

    Giorgia Manzo, Philip Mark Ferguson, V Benjamin Gustilo, Hind Ali, Tam Bui, Alexander Drake, Robert Andrew Atkinson, Giovanna Batoni, Christian Lorenz, David Phoenix, Andrew James Mason

    On the existence of thermodynamically stable rigid solids

     

    Parswa Nath, Saswati Ganguly, Jürgen Horbach, Peter Sollich, Smarajit Karmakar, Surajit Sengupta

    Evidence of high-order nonlinearities in supercontinuum white-light generation from a gold nanofilm

     

    Junsheng Chen, Alexey Krasavin, Pavel Ginzburg, Anatoly Zayats, Tõnu Pullerits, Khadga Karki

    Publications of April 2018

    On the solvation of the phosphocholine headgroup in an aqueous propylene glycol solution

    Natasha H. Rhys, Mohamed Ali Al-Badri, Robert M. Ziolek, Richard J. Gillams, Louise E. Collins, M. Jayne Lawrence, Christian D. Lorenz, Sylvia E. McLain

    New Tropical Peatland Gas and Particulate Emissions Factors Indicate 2015 Indonesian Fires Released Far More Particulate Matter (but Less Methane) than Current Inventories Imply

    Martin J. Wooster, David L. A. Gaveau, Mohammad A. Salim, Tianran Zhang, Weidong Xu, David C. Green, Vincent Huijnen, Daniel Murdiyarso, Dodo Gunawan, Nils Borchard, Michael Schirrmann, Bruce Main, Alpon Sepriando

    An immunologically relevant rodent model demonstrates safety of therapy using a tumour-specific IgE

    Debra H Josephs, Mano Nakamura, Heather J Bax, Tihomir S Dodev, Gareth Muirhead, Louise Saul, Panagiotis Karagiannis, Kristina M Ilieva, Silvia Crescioli, Patrycja Gazinska, Natalie Woodman, Cristina Lomardelli, Sedigeh Kareemaghay, Christopher Selkirk, Heike Lentfer, Claire Barton, Silvana Canevari, Mariangela Figini, Noel Downes, David Dombrowicz, Christopher J Corrigan, Frank O Nestle, Paul S Jones, Hannah J Gould, Philip J Blower, Sophia Tsoka, James F Spicer, Sophia N Karagiannis

    Publications of March 2018

    The effect of size and composition on structural transitions in monometallic nanoparticles

    Francesca Chiara Maria Baletto, Kevin Rossi, Luca Pavan, Yee Yeen Soon

    Activated aging dynamics and effective trap model description in the random energy model

    Chiara Cammarota, Giulio Biroli

    On-Surface Synthesis on a Bulk Insulator Surface

    Richter Antje, andrea floris, Ralf Bechstein, Lev Nohimovich Kantorovitch, Angelika Kuhnle

    Towards optimised drug delivery

    Yussif Saaka, Daniel T Allen, Yuvared Luangwitchajaroen, Yanan Shao, Richard A Campbell, Christian D Lorenz, M Jayne Lawrence

    Introduction to Random Matrices

    Pierpaolo Vivo, Giacomo Livan, Marcel Novaes

    Metal-insulator transition in copper oxides induced by apex displacements

    Cedric Raphael Weber

    A characterization of types of support between structured arguments and their relationship with support in abstract argumentation

    Andrea Cohen, Simon Dominic Parsons, Elizabeth I. Sklar, Peter McBurney

    The kinetic analysis of the N-methylation of 4-phenylpyridine by nicotinamide N-Methyltransferase

    Matthijs J. van Haren, Martin G. Thomas, Davide Sartini, David J. Barlow, David B. Ramsden, Monica Emanuelli, Fábio Klamt, Nathaniel I. Martin, Richard B. Parsons

    A review of statistically-based landslide susceptibility models

    Paola Reichenbach, Mauro Rossi, Bruce Malamud, Monika Mihir, Fausto Guzzetti

    Publications of February 2018

    Experimental determination of configurational entropy in a two-dimensional liquid under random pinning

    Ian Williams, Francesco Turci, James Hallett, Peter Crowther, Chiara Cammarota, Guilio Biroli, C Patrick Royall

    Log-correlated random-energy models with extensive free-energy fluctuations:

    Xiangyu Cao, Yan V Fyodorov, Pierre Le Doussal

    Shortwave IR Adaption of the Mid-Infrared Radiance Method of Fire Radiative Power (FRP) Retrieval for Assessing Industrial Gas Flaring Output

    Daniel Neil Fisher, Martin John Wooster

    Memory functions reveal structural properties of gene regulatory networks

    Edgar Herrera-Delgado, Ruben Perez-Carrasco, James Briscoe, Peter Sollich

    The effect of size and composition on structural transitions in monometallic nanoparticles

    Luca Pavan, Kevin Rossi, Yee Yeen Soon, Francesca Chiara Maria Baletto

    The simulation of urban-scale evacuation scenarios with application to the Swinley forest fire

    Anand Veeraswamy, Edwin R. Galea, Lazaros Filippidis, Peter J. Lawrence, Simo Haasanen, Robert J. Gazzard, Thomas E. L. Smith

    Publications of January 2018

    Chondroitin sulfate proteoglycan 4 and its potential as an antibody immunotherapy target across different tumor types

    Kristina M. Ilieva, Anthony Cheung, Silvia Mele, Giulia Chiaruttini, Silvia Crescioli, Merope Griffin, Mano Nakamura, James F. Spicer, Sophia Tsoka, Katie E. Lacy, Andrew N.J. Tutt, Sophia N. Karagiannis

    Structure, thermodynamics, and rearrangement mechanisms in gold clusters – Insights from the energy landscapes framework

    D. Schebarchov, F. Baletto, D. J. Wales

    Soliton gases and generalized hydrodynamics

    Benjamin Doyon, Takato Yoshimura, Jean-Sébastien Caux

    Publications of December 2017

    A long-range ordered array of copper tetrameric units embedded in an on-surface metal organic framework

    Matteo Lo Cicero, Ada Della Pia, Massimo Riello, Luciano Colazzo, Francesco Sedona, Maria Grazia Betti, Mauro Sambi, Alessandro De Vita, Carlo Mariani

    Xanthine Quartets on Au(111)

    Chong Chen, Hongqian Sang, Pengcheng Ding, Ye Sun, Manuela Mura, Ying Hu, Lev Nohimovich Kantorovitch, Flemming Besenbaher, Miao Yu

    Hydrocarbon decomposition kinetics on Ir(111) surface

    Holly Alexandra Tetlow, Davide Curcio, Alessandro Baraldi, Lev Nohimovich Kantorovitch

    Publications of November 2017

    Large-Scale Description of Interacting One-Dimensional Bose Gases:

    Benjamin Doyon, Jerome Dubail, Robert Konik, Takato Yoshimura

    Analysis and modelling of a 9.3?€kyr palaeoflood record

    Annette Witt, Bruce D. Malamud, Clara Mangili, Achim Brauer

    Mechanistic insight into the assembly of the HerA-NurA helicase-nuclease DNA end resection complex

    Zainab Ahdash, Andy M Lau, Robert Thomas Byrne, Katja Lammens, Alexandra Stüetzer, Henning Urlaub, Paula J Booth, Eamonn Reading, Karl-Peter Hopfner, Argyris Politis

    Cucurbit[7]uril as a Supramolecular Artificial Enzyme for Diels-Alder Reactions

    Aniello Palma, Markus Artelsmair, Guanglu Wu, Xiaoyong Lu, Steven J. Barrow, Najib Uddin, Edina Rosta, Eric Masson, Oren A. Scherman

    Insights into functions of the H channel of cytochrome c oxidase from atomistic molecular dynamics simulations

    Vivek Sharma, Pablo G. Jambrina, Markus Kaukonen, Edina Rosta, Peter R. Rich

    The magnetic, electrical and structural properties of copper-permalloy alloys

    Makram A. Qader, Alena Vishina, Lei Yu, Cougar Garcia, R. K. Singh, N. D. Rizzo, Mengchu Huang, Ralph Chamberlin, K. D. Belashchenko, Mark van Schilfgaarde, N. Newman

    Fire activity in Borneo driven by industrial land conversion and drought during El Niño periods, 1982–2010

    Sean Sloan, Bruno Locatelli, Martin J. Wooster, David L.A. Gaveau

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