Archive for the ‘Uncategorized’ Category

New PCCP Associate Editor: Chantal Daniel

We are delighted to welcome Chantal Daniel as our newest Physical Chemistry Chemical Physics Associate Editor.

Chantal Daniel, Institute of Chemistry, University of Strasbourg, France

ORCiD  0000-0002-0520-2969

Chantal Daniel is CNRS Research Director at the Institute of Chemistry, University of Strasbourg. She graduated in 1985 with a PhD on transition metal complexes excited states and strong electron correlation. She joined the Institute for Molecular Sciences Okazaki, Japan in 1986 as a JSPS fellow and the IBM Research group in Kingston, USA in 1988 as a Postdoctoral Associate.

Her research in theoretical chemistry is focused on the photophysics and photochemistry of coordination compounds and excited state properties, including quantum dynamics. Using electronic structure theory and vibronic models, the Daniel group simulated ultrafast processes in transition metal complexes used as luminescent probes, electron transfer triggers, DNA intercalators and Photoinduced release Carbonyl Materials.

“I think that PCCP is one of the best publications as meeting point for experimentalists and theoreticians working in fundamental aspects of physical chemistry and chemical physics.”

As a PCCP Associate Editor, Chantal will provide her expertise in the fields of:

  • Theory, both electronic structure and dynamics
  • Spectroscopy
  • Photochemistry and Photophysics
  • Molecular based materials

Submit your best work in these areas to Chantal now.

Read Chantal’s latest article in PCCP here:

Excited-states of a rhenium carbonyl diimine complex: solvation model, spin-orbit coupling, and vibrational sampling effects. Sebastian Mai, Hugo Gattuso, Maria Fumanal, Aurora Munoz-Losa, Antonio Monari, Chantal Daniel and Leticia Gonzalez. Phys. Chem. Chem. Phys., 2017, 19, 27240-27250. DOI: 10.1039/C7CP05126C

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2018 PCCP Emerging Investigator Lectureship: awarded to Professor Debashree Ghosh

Nominations were open to all and were made by leading researchers from around the world. The nominee list was shortlisted by the Editorial Board prior to the Fall PCCP Editorial Board meeting, at which, Professor Debashree Ghosh (Indian Association for the Cultivation of Science) was selected as the 2018 recipient.

Professor Ghosh develops and applies accurate quantum chemical methods to understand the interaction between light and coupled bio-chromophores. Electronic structure theory gives us unique tools to understand the energy states of the chromophores and their coupling to each other and therefore, gives us a glimpse into their photochemistry and photo-dynamics.

As part of the Lectureship, Professor Ghosh will be awarded a travel bursary of £1000 to attend and present at a leading international event in 2019, where she will be presented her Lectureship award. Professor Ghosh has also been invited to contribute a Perspective article to PCCP.

Many congratulations to Professor Ghosh on behalf of the PCCP Ownership Societies and Editorial Board.

Nominations for the 2019 PCCP Emerging Investigator Lectureship will open next summer, keep up to date with latest journal news on the blogTwitternewsletter and e-TOC alerts.

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New PCCP Associate Editor: Ron Naaman

We are delighted to welcome Ron Naaman as our newest Physical Chemistry Chemical Physics Associate Editor.

Ron Naaman, Weizmann Institute of Science, Israel

Born in Israel, Prof. Ron Naaman earned his BSc in 1973 from Ben-Gurion University of the Negev, and his PhD in 1978 from the Weizmann Institute of Science. He worked as a postdoctoral researcher at Stanford University in California, and spent a year in the Department of Chemistry at Harvard University. In 1981, Prof. Naaman joined the Weizmann Institute. From 1989-1995, Ron chaired the Institute’s Chemical Services Unit and from 1995-2000, he headed the Department of Chemical Physics. From 2008-2010, Prof. Naaman was the Chair of the Scientific Council at the Institute. Prof. Naaman is the incumbent of the Aryeh and Mintzi Katzman Professorial Chair.

His research focusses on studying interactions of electrons and their spin with organic and bio-related molecules.

As a PCCP Associate Editor, Ron will provide his expertise in the fields of:

  • Electron-molecule interactions
  • Organic-inorganic interfaces
  • Spintronics
  • Molecular electronics
  • Organic electronics
  • Photovoltaic devices
  • Electron transfer

Submit your best work in these areas to Ron now.

Read Ron’s latest article in PCCP here:

Bacteriorhodopsin based non-magnetic spin filters for biomolecular spintronics. Vaibhav Varade, Tal Markus, Kiran Vankayala, Noga Friedman, Mordechai Sheves, David H. Waldeck and Ron Naaman. Phys. Chem. Chem. Phys., 2018, 20, 1091-1097. DOI: 10.1039/C&CP06771B

 


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11th Congress on Electronic Structure: Principles and Applications

The 11th Congress on electronic structure: Principles and applications (ESPA-2018) will be held in Toledo, Spain on 17–19 July 2018. ESPA is a series of international conferences covering all aspects of Theoretical Chemistry from method development to state-of- the-art- applications across computational molecular science.

The Universidad Autónoma de Madrid, the Universidad de Castilla la Mancha, the APQTC (Asociación para la Promoción de la Química Teórica y Computacional), and the organizers of this conference are delighted and honored to host this ESPA conference in the historic city of Toledo, World Heritage Site, during the summer of 2018.

Physical Chemistry Chemical Physics (PCCP) is pleased to support the meeting and will provide a poster prize.

Register now!

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Changes to PCCP Communication articles

PCCP Communications are urgent reports of highly original and significant work likely to have a high impact on the community and of such importance that rapid publication is justified.

We are making some changes to the format of PCCP Communications to ensure they are succinctly communicating the most urgent research.

 

From 1st August 2018, all Communications articles submitted to PCCP must:

  • Not exceed 4 printed journal pages
  • Be submitted on a Communications template
  • Include 4 or fewer figures including tables
  • Be submitted with a short statement justifying why the work merits urgent publication as a Communication

 

PCCP Communications are:

  • given priority treatment
  • fast-tracked through the publication process
  • appear prominently at the front of the journal in a dedicated Communications section ensuring rapid exposure 

 

Submit your most urgent work as a Communication here now!

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International Conference on Physical Chemistry and Functional Materials (PCFM’18)

The International Conference on Physical Chemistry and Functional materials (PCFM’18) will be held in Elazığ, Turkey, between 19–21 June 2018.

With a theme of ‘Physical Chemistry and Functional Materials’, the PCFM 2018 conference features three days of scientific sessions, keynote & invited lectures, oral and poster communications, as well as exceptional networking opportunities, an exhibition and a unique social programme. The PCFM 2018 conference reflects the outstanding research being done in Europe and around the world by bringing together scientists from different countries and professional backgrounds to exchange ideas, advance knowledge and discuss key issues for physical chemistry and material science.

Physical Chemistry Chemical Physics (PCCP) is delighted to be supporting the meeting and provide three poster prizes.

Register now!

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PCCP Themed Collection: Theory, experiment, and simulations in laboratory astrochemistry

Guest-edited by Laurent Wiesenfeld (Université Grenoble Alpes), Allan Shi-Chung Cheung (The University of Hong Kong) and Jos Oomens (Radboud University), this themed issue of PCCP overviews the recent developments showing physical insights in the areas of theory, experiment, and simulation as applied to molecular astrophysics environments.

Read the full collection here now!

It includes:

Editorial 
Theory, experiment, and simulations in laboratory astrochemistry
Laurent Wiesenfeld, Jos Oomens and Allan S. C. Cheung
Phys. Chem. Chem. Phys., 2018, 20, 5341-5343. DOI: 10.1039/C8CP90026D

Perspective 
Spectroscopy of prospective interstellar ions and radicals isolated in para-hydrogen matrices
Masashi Tsuge, Chih-Yu Tseng and Yuan-Pern Lee
Phys. Chem. Chem. Phys., 2018, 20, 5344-5358. DOI: 10.1039/C7CP05680J

Paper 
A general method for the inclusion of radiation chemistry in astrochemical models
Christopher N. Shingledecker and Eric Herbst
Phys. Chem. Chem. Phys., 2018, 20, 5359-5367. DOI: 10.1039/C7CP05901A

Paper 
Radiation chemistry of solid acetone in the interstellar medium – a new dimension to an old problem
L. Hudson
Phys. Chem. Chem. Phys., 2018, 20, 5389-5398. DOI: 10.1039/C7CP06431D

Paper 
Dissociative ionisation of adamantane: a combined theoretical and experimental study
Alessandra Candian, Jordy Bouwman, Patrick Hemberger, Andras Bodi and Alexander G. G. M. Tielens
Phys. Chem. Chem. Phys., 2018, 20, 5399-5406. DOI: 10.1039/C7CP05957D

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2018 Joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments poster award winners!

The 2018 Joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments was held at ICTP in Trieste, Italy, from 16 – 20 April 2018. Six Physical Chemistry Chemical Physics poster prizes were awarded.

First prize was awarded to Marta Patricia Alejandra Mendez for her contribution “Inelastic collision calculations of heavy targets”.

Joint second prize was awarded to Szabolcs Goger for “Theoretical studies on the dynamics of the HO + HBr → H2O + Br reaction” and Francisco Ramirez for “Real time electron dynamics using TDDFT”.

Joint third prize was awarded to Jerome Deprince for “Plasma environment effects on K-lines of astrophysical interest”, Chuanguo Zhang for “Long-term evolution of cascades in bcc tungsten: effects of size distribution of interstitial clusters” and Suvam Singh for “Electron and positron induced scattering from propene”.

 

Congratulations to the awardees!

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PCCP Tulip VII Summer School Award

We are delighted to announce the winner of the PCCP Tulip2018 award that was given at the Tulip VII Summer School on Modern Developments in Spectroscopy, 3–6 April 2018 in Noordwijk, the Netherlands.  The winner for the best presentation was Meissa Diouf of the Free University Amsterdam with a poster on HIGH-RESOLUTION CARS STUDY OF THE FUNDAMENTAL VIBRATION IN T2 AND DT. The winner received a certificate and a cash prize.

Pictured (left to right): Prof. Wybren Jan Buma (co-chair of the Tulip Summer School), Meissa Diouf (PCCP Poster prize winner for best presentation), Prof. Ivan Powis (lecturer at Tulip2018 and presenting the award on behalf of the committee of all 6 Tulip lecturers) and Dr. Maurice Janssen (co-chair of the Tulip Summer School).

Congratulations to Meissa Diouf!

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RSC Theoretical Chemistry Group Conference

The Theoretical Chemistry Group of the Royal Society of Chemistry is pleased to announce the TCG conference 2018, which will be held at the University of Sheffield between 16 – 18 July.

The meeting will cover a broad spectrum of theoretical and computational chemistry, including talks by leading international and UK scientists. It will also incorporate the TCG Graduate Student Meeting, where final-year graduate students compete for the Coulson prize for the best graduate student talk.

Confirmed speakers:
  • Christine Mottet (Centre Interdisciplinaire de Nanoscience de Marseille, France)
  • Karen Johnston (University of Strathclyde, UK)
  • Paul Popelier (The University of Manchester, UK)
  • Daniel T. Crawford (Virginia Tech, USA)
  • Marie-Pierre Gaigeot (University of Evry, France)

For more information, please visit the conference web page.

Physical Chemistry Chemical Physics (PCCP) is pleased to support the meeting and will provide a prize for the best graduate student talk.

The deadline for registration is 8 June. The deadlines for talk and poster abstracts are 18 May and 1 June, respectively.

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