|Image Credtit: ACMM||PCCP is now open for submissions to the themed issue ‘Developments in Density Functional Theory’. This issue aims to highlight state-of-the-art density functional theory (DFT), ranging from mathematical development of the formalism, via software development and development of bonding and reactivity models through applications in physical, (in)organic, and biological/supramolecular chemistry. Contributions that provide insight into the density functional model for the electronic energy itself, as well as those that describe its application to topical problems in chemistry and physics will be welcomed.
This themed issue has been arranged to coincide with the 70th birthday of Professor Dr Evert Jan Baerends who has made an immense contribution to the field of theoretical chemistry in general and DFT in particular. In honour of this event, the Evert Jan Baerends Symposium is to be held at the Amsterdam Center for Multiscale Modeling (ACMM), in the Netherlands on 25th September 2015. The deadline for submissions to this themed issue is 15th January 2016 and the issue will be published later in the year. If you would like more information on making a submission, please contact the editorial office directly, email@example.com.
Archive for the ‘Conference’ Category
The 17th International Symposium on Relations between Homogeneous and Heterogeneous Catalysis (ISHHC17), was held at Utrecht University between 12th-15th July, 2015. The opening ceremony took place in the Dom church in the city centre, with plenary lectures given by Professor Robert Schlögl (Fritz Haber Institute of the Max Planck Society, Germany) and Professor Jan van Hest (Radboud University, the Netherlands).
Catalysis Science & Technology and PCCP were proud to sponsor two poster prizes during the event. These were awarded to Amanda E. Anderson (Christopher J. Baddeley and Paul A. Wright) of EaStCHEM School of Chemistry, University of St. Andrews (UK) for her poster, ‘Immobilization of Nanoparticles in Metal Organic Frameworks for Tandem Catalysis’; and to Pim Huat Phua (Boon Ying Tay, Cun Wang, Ludger Paul Stubbs) of Institute of Chemical and Engineering Science (A*STAR) (Singapore), for his poster, ‘Hydrogenation of Levulinic acid to γ-valerolactone: Homogeneous vs Heterogeneous Catalysis’.
We are delighted to announce the winners of the 2015 PCCP Prizes for Outstanding Achievement of Young Scientists in Physical Chemistry and Chemical Physics. These were awarded by Dr Robert Parker (CEO of the Royal Society of Chemistry) and Dr Anna Simpson (PCCP Editor) at a prize ceremony held at the 95th Annual Meeting of the Chemical Society of Japan at Nihon University, College of Science and Technology on 27th March. The winners each received a commemorative book, a PCCP Prize certificate and a financial award.
Dr. Manabu Kanno of Tohoku University for his work on “Laser Control of Attosecond Electron Dynamics Nonadiabatically Coupled with Femtosecond Molecular Vibrations”
Dr. Michio Yamada of Tokyo Gakugei University for his work on”Unveiling the Unique Structures and Chemical Reactivities of Endohedral Metallofullerenes”
Dr. Taniyuki Furuyama of Tohoku University) for his work on “Development of azaporphyrin complexes with main-group elements“
PCCP is delighted to announce that the journal is sponsoring the 8th Annual Nanoscience Technology Symposium, NanoFlorida2015, to be held on 12th-15th May, at Florida State University, USA.
Topics to be covered include:
- Synthesis and characterization of novel materials
- Optical and electronic properties
- Integration into photovoltaic and light emitting devices
- Functionalization strategies
- Sensor design
- Imaging of cells and tissues
- Drug delivery vehicles
Congratulations to Jing Wang who was recently awarded a PCCP poster prize at the ‘Electrochem2014′ conference which took place at Loughborough Univeristy, UK from 7th–9th September. Jing Wang’s poster was entitled ‘Electrodeposition and Characterisation of Novel Ni-NbOx Composite Coatings as a Diffusion Barrier for High Temperature Electronics Packaging’ and he was awarded the prize by Professor Rob Hillman, PCCP Advisory Board member.
The ‘Electrochem’ conference series has emerged as an established annual UK & Ireland event, where a cross-disciplinary range of electrochemistry, fundamental and applied, is on show with a particular view on broadening exchange of knowledge, providing information about the latest research developments, linking academia to industry and suppliers, and engaging with the next generation of electrochemists and electrochemical entrepreneurs.
PCCP will be awarding more Poster Prizes next year, so please do let us know of any suitable conferences which PCCP could sponsor in 2015.
PCCP is delighted to present its latest themed collection covering recent developments in Density Functional Theory with a balance between theory and applications. The issue was guest edited by David Tozer (Durham University, UK) and Michael Peach (Lancaster University, UK) and was published in conjunction with the 15th International Conference on Density Functional Theory and its Applications (DFT2013) that took place at Durham University, UK, from 9–13 September 2013.
The outside front cover features Dye Chemistry with time-dependent density functional theory, a perspective article from Adèle Laurent, Carlo Adamo and Denis Jacquemin.
Check out the themed issue online which contains an excellent range of Papers and Communications in addition to the following Perspective articles:
One-electron self-interaction and the asymptotics of the Kohn–Sham potential: an impaired relation
Tobias Schmidt, Eli Kraisler, Leeor Kronik and Stephan Kümmel
Perspective, DOI: 10.1039/C3CP55433C
Density functional tight binding: values of semi-empirical methods in an ab initio era
Qiang Cui and Marcus Elstner
Perspective, DOI: 10.1039/C4CP00908H
The derivative discontinuity of the exchange–correlation functional
Paula Mori-Sánchez and Aron J. Cohen
Perspective, DOI: 10.1039/C4CP01170H
PCCP was delighted to award poster prizes at the Bunsentagung 2014, which took place on 29–31 May at the University of Hamburg.
- 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 PCCP ‘Hot 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!
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.
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.
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