New paper ‘The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study’ published in ‘Frontiers of Chemistry’, read it here. Another application of Sergey Chulkov’s work on calculating excited states within the CP2K code. The work pushes the system sizes routinely above 1000 atoms. It reveals… Read More ›
Originally posted on Astrophysics Group :
A new paper has been accepted for publication in MNRAS (Monthly Notices of the Astronomical Society) by Dr Phil Sutton titled “Mean Motion Resonances With Nearby Moons: An Unlikely Origin For The Gaps Observed In The Ring Around The Exoplanet J1407b”. J1407b is a large exoplanet (more than 20 times…
Originally posted on Theory of Complex Matter:
A collaboration between Dr Fabien Paillusson from the School of Mathematics and Physics Lincoln UK and Dr Helene Berthoumieux from the Laboratory for the Theoretical Physics of Condensed Matter at Sorbonne University, Paris France just got a research paper accepted in the Journal of Physical Chemistry. The theme…
Xiaohu Guo from Daresbury Laboratory, UK, Fabien Paillusson, Marco Pinna and Andrei Zvelindovsky from the University of Lincoln, UK and Ryoichi Yamamoto from the University of Kyoto in Japan have secured a grant from CECAM (Centre Européen de Calcul Atomique et Moléculaire) for organizing a CECAM Workshop “Emerging behaviour in active matter: computational challenges” in 2019.
A paper has been accepted and published regarding the effect that nanoparticles have on the morphology of a diblock copolymer system. The paper appears in the journal Advanced Theory and Simulations 2018 September issue and can be found here . It is the result of a collaboration of Lincoln’s group members Andrei Zvelindovsky, Marco Pinna… Read More ›
A new paper published in Nature Chemistry where molecular nanowires up to one micrometer long were grown on insulating materials using a novel radical polymerisation process. This addresses one of the key issues in molecular electronics – how to produce wires to connect components. This was an interdisciplinary project involving some great teams of chemists,… Read More ›
New paper published in the Journal of Chemical Physics. It looks at an old problem of accurately calculating energies of charged species in an infinite (periodically repeating) crystal. The 1/r dependence of the coulomb interactions makes this non-trivial. Tom Durrant, a PhD student at UCL in Alex Shluger’s group, has done painstaking work to unify… Read More ›
There will be a CECAM workshop at the University of Lincoln (Isaac Newton Building), 25-27th of June 2018, on Nano-structured soft matter: a synergy of approaches to amphiphilic and block copolymer systems. Andrei Zvelindovsky, Fabien Paillusson, Martin Greenall and Bart Vorselaars from the University of Lincoln and Xiaohu Guo from Daresbury Laboratory have successfully applied for… Read More ›
This week’s seminar will be jointly given by Dmitry Nerukh, Aston University and Gennady Chuev, visiting from the Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Pushchino, Russia. It will be in INB 3305 at 1pm on Wednesday Jan 31st. Dmitry will talk about ‘ Hybrid Molecular Dynamics – Hydrodynamics Modelling of Liquid Solutions: Whole… Read More ›
On the 24th of January 2018 Dr Alan Goddard from Aston University visited our School to discuss future collaborations and to deliver a seminar on cell membranes in biotechnology. The talk was well attended, by members of the School of Maths & Physics and the School of Life Sciences.
Jorge Kohanoff (Queen’s University Belfast) gave an overview of modelling irradiated materials, focussing on damage caused by electron capture. Some interesting observations concerned the inadvisability of taking a trip to Mars and UMOs (Unidentified Moving Objects). Around 40 attendees from 24+ institutions attended the meeting that brought together some of the community using and developing… Read More ›
In 1948 Hendrik Casimir calculated that two metallic plates in a vacuum (absence of particle of any kind…except for the plates themselves that is) would be subject to an attractive force owing to the quantum fluctuations of the electromagnetic field they are embedded in. This Force from nothing has lead to many heated speculations on the… Read More ›
Sergey Chulkov and Matt Watkins helped to deliver the 2017 CP2K user tutorial on ‘Advanced ab-initio MD methods’ at the University of Zurich, Switzerland. CP2K is a multinational open-source code for simulating material properties at an atomistic scale.
Scientific thinkers from around Europe will come together for the annual meeting of COST Crystallize. This year the crystallisation-focused meeting is taking place at the University of Lincoln in the UK. Crystallisation – the process of crystal formation via crystal nucleation and growth – is typically employed in chemical manufacturing as a purification step or… Read More ›
A conference on Crystallization will be held at the University of Lincoln on Monday 26th-Tuesday 27th of June 2017. It is the annual meeting of the Crystallize CM1402 EU COST Action involving scientists from 27 different countries. Invited speakers include: Chick Wilson (University of Bath, UK) Joop ter Horst (University of Strathclyde, Glasgow, UK) Jacco… Read More ›
Professor Dick Bedeaux from the Department of Chemistry at the Norwegian University of Science and Technology in Trondheim, Norway, is visiting us on 6-11 December 2016. He gave a seminar on “Curvature dependence of the heat and mass transfer resistances of the surface of nano bubbles and droplets”.
Matt Watkins visited Iain Bethune at the Edinburgh Parallel Computing Centre (EPCC, the administrators of the national supercomputer, ARCHER). We recorded a webinar tutorial focusing on the recent work that Matt and Sergey Chulkov have carried out on methods to calculate excited states of molecules and crystals in the CP2K code (funded by an eCSE… Read More ›