Archive for the ‘Conference’ Category

Poster Prizes at Bunsentagung 2014

PCCP was delighted to award poster prizes at the Bunsentagung 2014, which took place on 29–31 May at the University of Hamburg.

A total of eight poster prizes were awarded to the following recipients:Prize winners

  • Alexander Riss (University of California Berkeley)
  • Marina Schenk (Bielefeld University)
  • Mona Calik (University of Munich)
  • Maria Wuithschick (Humboldt University of Berlin)
  • Christian Heine (Fritz Haber Institute of the MPG)
  • Denis Czurlok (University of Bonn)
  • Sascha Schäfer (University of Göttingen)
  • Johannes Lang (University of Kaiserslautern)

A further 10 winners were also awarded with the PCCPHot Topics’ Prize: Janika Lauth (University of Hamburg), Wei Liu (Dresden University of Technology), Michael Senske (Ruhr University Bochum), Benjamin Sperlich (Dortmund University), Uta Stange (University of Kiel), Helen Preiß (University of Göttingen), Jan Goritzka (University of Bremen), Simon Merz (Radboud University Nijmegen), Manuel Tsotsalas (Karlsruhe Institute of Technology) and Roland Frach (TU Dortmund).

Congratulations to the recipients of all the prizes!

Keep up to date with the latest PCCP articles and news: sign up to receive our free table of contents e-alerts and follow us on twitter.

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Porous materials with FEZA 2014 – extended deadline

The deadline for submission to a cross journal web collection on porous materials in conjunction with the FEZA 2014 conference has been extended to 9th June 2014.

The conference will cover all aspects of science and technology associated with ordered porous materials – zeolites, zeotypes, mesostructured materials and porous coordination polymers. Submissions are welcome to the relevant journals across the themes of the conference and the collection will also receive promotion at the meeting in September.

For more information on the collection and participating journals, please see the original post.

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PCCP at Bunsentagung 2014

Bunsentagung 2014 is taking place later this week in Hamburg, Germany (29–31 May). PCCP Deputy Editor Jeanne Andres will be there so if you are also attending please do visit our stand – we’d love to meet you and hear any feedback that you may have about our journal.

PCCP activities with Bunsentagung:

  • 15th anniversary issue: A special issue to mark 15 years since the very first issue of Physical Chemistry Chemical Physics was published recently. The issue contains work from many of the people who have contributed to the success of the journal over the last 15 years and Jeanne will have free copies to give away – so make sure to get yours!
  • PCCP prizes: For the 8th year running PCCP is proud to sponsor Poster Prizes and “hot topic” awards at the Bunsentagung rewarding outstanding research.
  • Co-Owner of PCCP: PCCP is co-owned by 18 national chemical societies including the Deutsche Bunsen-Gesellschaft (DBG) für Physikalische Chemie. Every time a paper by a German author is published in PCCP, the DBG receives a financial royalty from the journal. We are proud of PCCP’s strong and historic links with German research.
  • Board Members: Germany is well represented on the board of PCCP – Martina Havenith, Ruhr-University Bochum and Frank Neese,  Max Planck Institute for Chemical Energy Conversion are both Associate Editors for the journal handling papers on THz and IR spectroscopy and Theoretical and Computational Chemistry respectively. We are also privileged to have Stefan Grimme, Wolfgang Lubitz, Manfred Martin, Gerard Meijer, Joachim Sauer, Ferdi Schüth, Martin Suhm, Jürgen Troe and Hans-Joachim Werner on our Editorial and Advisory Boards.
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Faraday Discussions Award Symposium – University College London, February 2014

Faraday Discussions Award winners

Faraday Discussions Award winners, from left to right, Dr Andrew Goodwin, Professor Bert Weckhuysen, Professor Shik Chi (Edman)Tsang, Aron Walsh, Professor Geoff Thornton, representing the Faraday Division President, Alisa Becker, RSC Programme Manager, Physical Sciences, Secretary to the Faraday Division

Written by Sarah Thirkell, Development Editor

PCCP Advisory Board member Professor Bert Weckhuysen was among the 2013 RSC Prize and Award winners honoured at a symposium held by the Faraday Division on 26 February 2014 at University College London (UCL).

The Faraday Division presented four RSC Prizes and Awards:

• Professor Bert Weckhuysen (Utrecht University) – the Bourke award

• Dr Andrew Goodwin (University of Oxford) – the Marlow award

• Professor Shik Chi (Edman) Tsang (University of Oxford) – the Surfaces and Interfaces award

• Dr Aron Walsh (University of Bath) – the Harrison-Meldola memorial prize

Professor Weckhuysen also serves as an Advisory Board member for Chemical Society Reviews, while Dr Aron Walsh is the current winner of the Journal of Materials Chemistry A Emerging Investigator award.

The four honourees gave excellent presentations about their research before being awarded a medal and certificate by Professor Geoff Thornton, on behalf of the President of the Faraday Division.

You may be interested in reading a selection of these award winners’ recent publications:

Structural investigation of a hydrogen bond order–disorder transition in a polar one-dimensional confined ice
Jaspar Adamson, Nicholas P. Funnell, Amber L. Thompson and Andrew L. Goodwin
Phys. Chem. Chem. Phys. 2014, 16, 2654-2659 DOI: 10.1039/C3CP53994F

Geometric switching of linear to area negative thermal expansion in uniaxial metal–organic frameworks
Ines E. Collings, Matthew G. Tucker, David A. Keen and Andrew L. Goodwin
CrystEngComm, 2014, Advance Article DOI: 10.1039/C3CE42165A

Recent advances in secondary ion mass spectrometry of solid acid catalysts: large zeolite crystals under bombardment
Jan P. Hofmann, Marcus Rohnke and Bert M. Weckhuysen
Phys. Chem. Chem. Phys. 2014, 16, 5465-5474 DOI: 10.1039/C3CP54337D

Transition metal-catalyzed oxidative double bond cleavage of simple and bio-derived alkenes and unsaturated fatty acids
Peter Spannring, Pieter C. A. Bruijnincx, Bert Weckhuysen and Bert Klein Gebbink
Catal. Sci. Technol. 2014, Accepted Manuscript, DOI: 10.1039/C3CY01095C

Hydrogenolysis of ethylene glycol to methanol over modified RANEY® catalysts
Cheng-Tar Wu, Jin Qu, Joseph Elliot, Kai Man Kerry Yu and Shik Chi Edman Tsang
Phys. Chem. Chem. Phys. 2013, 15, 9043-9050 DOI: 10.1039/C3CP51619A

Palladium on iron oxide nanoparticles: the morphological effect of the support in glycerol hydrogenolysis
Junwei Ge, Ziyan Zeng, Fenglin Liao, Weiran Zheng, Xinlin Hong and Shik Edman Tsang
Green Chem. 2013, 15, 2064-2069 DOI: 10.1039/C3GC40712H

Computational screening of structural and compositional factors for electrically conductive coordination polymers
Davide Tiana, Christopher H. Hendon, Aron Walsh and Thomas P. Vaid
Phys. Chem. Chem. Phys. 2014, Advanced Article DOI: 10.1039/C3CP00008K

Conductive metal–organic frameworks and networks: fact or fantasy?
Christopher H. Hendon, Davide Tiana and Aron Walsh
Phys. Chem. Chem. Phys., 2012, 14, 13120-13132 DOI: 10.1039/C2CP41099K

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PCCP – Weizmann mini symposium: 1st April 2014

Join us for the upcoming joint Physical Chemistry Chemical Physics (PCCP) – Weizmann Institute of Science mini-symposium on Tuesday 1st April 2014.

The event is free to attend for all delegates and no registration is necessary.

More details of the exciting programme can be found below.

PCCP Weizmann Mini Symposium advert

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Advancing the chemistry of the f-elements (Dalton Discussion 14) – final chance to submit

Advancing the Chemistry of the Actinides:DD14

Advancing the chemistry of the f-elements (Dalton Discussion 14) – final chance to submit

The oral abstract deadline for Advancing the chemistry of the f-elements (Dalton Discussion 14) is almost upon us. Take advantage of this exceptional opportunity to showcase your work at this truly interactive event and submit before Monday 2 December 2013.

For full details on Advancing the chemistry of the f-elements (Dalton Discussion 14), please visit the dedicated website.

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Web-collection on porous materials with FEZA 2014

We are delighted to announce a cross journal web collection on porous materials in conjunction with the FEZA 2014 conference which will cover all aspects of science and technology associated with ordered porous materials – zeolites, zeotypes, mesostructured materials and porous coordination polymers.

Nine Royal Society of Chemistry publications are encouraging submissions for the collection:

- Catalysis Science & Technology
- Dalton Transactions
- Green Chemistry

- Journal of Materials Chemistry A
- Journal of Materials Chemistry B
- Journal of Materials Chemistry C
- Nanoscale

- Physical Chemistry Chemical Physics (PCCP)
- RSC Advances

The overall theme of the conference is “Porous Systems: From Novel Materials to Sustainable Solutions” and it will cover a wide range of topics from the synthesis of porous solids, advanced characterization, modeling, gas adsorption and separation, catalytic applications and natural occurring zeolites to the sustainable technological uses of porous systems and their applications in biology and medicine.

Submissions are welcome to the relevant journal across the themes of the conference. We encourage you to submit to this collection highlighting the challenges and opportunities in the fast moving field of porous materials.

Articles can be submitted from now until the 9th June 2014 and the collection will receive promotion at the conference in September. Please indicate in your covering letter that your submission is for consideration for the FEZA 2014 collection. Please note that all submissions will be subject to the normal peer review process.

If you have any queries or for more information, please contact the relevant Editorial Office: catalysis-rsc@rsc.org, dalton-rsc@rsc.org, materialsa-rsc@rsc.org, materialsb-rsc@rsc.org, materialsc-rsc@rsc.org, nanoscale-rsc@rsc.org, pccp-rsc@rsc.org or advances-rsc@rsc.org.

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PCCP sponsored Young Investigator Winners at the Gordon Conference on Dynamics at Surfaces

The Gordon Research Conference on Dynamics at Surfaces was held at  Salve Regina University on the 11-16th August 2013.

The meeting was a great success with over 100 attendees. A huge proportion of these – 60 – participated in the Young Investigator Competition. PCCP sponsored the three winners of the competition to attend the meeting and they gave their excellent oral presentations on the final night.

The winners were:

  • Joerg Meyer (2nd from left), TU MUENCHEN, Non Adiabatic Vibrational Damping of O2 on Ag(100): Implications for Light Enhanced Catalysis.
  • Jennifer Faust (center), UNIVERSITY OF WISCONSIN-MADISON, Surfactant Promoted Reactions at Gas Liquid Interfaces: Startling Implications for Tropospheric Aerosol Chemistry
  • Morten Hundt (2nd from right), ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE, Vibrationally Promoted Chemisorption  of Water on Ni(111)

Young Investigator Competition winners at the Gordon conference on Dynamics at Surfaces

Congratulations winners!

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UK-Asia International Symposium on Organic Optoelectronics

The UK-Asia International Symposium on Organic Optoelectronics will be held at the Institute of Chemistry, Chinese Academy of Sciences, Beijing on the 9-11 December 2013. More details of the excellent speakers on the website. Free online registration here.

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PCCP Poster Prize at IMAMPC 2013

PCCP was delighted to sponser a poster prize at the International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC), which was held in Lille, France, on the 2-5th July 2013.

The selection committe, supervised by Helen J Fraser of The Open University, UK, chose Yansel Omar Guerrero Martinez, from INSTEC, Cuba, as the winner of the PCCP IMAMPC 2013 Best Poster Prize.

Yansel Omar Guerrero Martinez

PCCP Poster prize winner at IMAMPC 2013: Yansel Omar Guerrero Martinez, INSTEC, Cuba

IMAMPC 2013 PCCP

Poster award ceremony at IMAMPC

More about the winning poster…

Title: Development and application of a polarizable force-field for halides counter anions and lanthanides cations in aqueous solution

Coworkers:

YANSEL OMAR GUERRERO MARTÍNEZ (1), FLORENT RÉAL, VALÉRIE VALLET (2), BERND

SCHIMMELPFENNIG, MICHAEL TRUMM(3), AND MICHEL MASELLA (4)

(1) Instituto Superior de Tecnologías y Ciencias Aplicadas.(INSTEC). Ave. Salvador Ayende, esq. Luaces. Quinta de los molinos. La Habana. Cuba

(2) Université Lille 1 (Sciences et Technologies), Laboratoire PhLAM, CNRS UMR 8523, CERLA, CNRS FR 2416, Bât P5, F-59655 Villeneuve d’Ascq Cedex, France

(3) Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT), Postfach 3640, D-76021 Karlsruhe, Germany

(4) Laboratoire de Chimie du Vivant, Service d’ingénierie moléculaire des protéines, Institut de biologie et de technologies de Saclay, CEA Saclay, F-91191 Gif sur Yvette Cedex, France

Abstract:

The hydration of transition metals, lanthanides (Ln) and actinides (An) in aqueous solution is a topic that attracts the attention of many scientists as this process is of relevance to environmental problems and medicinal applications. Actinides have an environmental and toxicological interest since they are nuclear fuel wastes with both chemical and radiochemical toxicity, becoming extremely difficult to handle it from experimental point of view. In this context, a more quantitative use of the Ln/An analogy is desirable to develop theoretical approaches capable of reproduce the experimental data existing for the former and capable of predict macroscopic properties in the solvation of the latter.

In order to investigate hydration of lanthanide/actinide and halides counter ions[1], one of our goal is to develop a polarizable force-field model adjusted on state-of-the art ab initio calculations[1, 2, 3]. Another goal is to discuss the accuracy of the model by investigating the impact of the parametrization uncertainties in the bulk water model and in the metal-water interaction model on the molecular simulation results.

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