Author Archive

Ultrafast Science & Technology Spain 2017

Ultrafast Science & Technology Spain (USTS) 2017 will be taking place between 22-24 November in Salamanca, Spain. The scope of this Meeting will cover topics including ultrafast laser development, extreme light, materials processing, femtosecond laser spectroscopy and dynamics, nonlinear optical phenomena, ultrafast processes in biology, femtosecond microscopy or attosecond physics.

In partnership with USTS, Physical Chemistry Chemical Physics will be awarding 100 prizes for the best oral and poster presentations. The Advisory Committee – including PCCP Associate Editor Luis Bañares – will be in charge of the evaluation, taking into account the scientific quality of the work as well as presentation skills of the author.

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Joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments

PCCP is pleased to support the 2018 Joint ICTP-IAEA School and Workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments which will be held on 16-20 April 2018, at the International Centre for Theoretical Physics (ICTP), Miramare, Trieste, Italy.

The Abdus Salam International Centre for Theoretical Physics (ICTP) and the International Atomic Energy Agency (IAEA) will jointly organize this school and workshop on Fundamental Methods for Atomic, Molecular and Materials Properties in Plasma Environments. The one-week event at ICTP will provide training and information exchange for computational scientists working on models and data for atomic, molecular and materials processes relevant to fusion energy research, industrial plasmas, laser-produced plasmas, astrophysical plasmas, and warm and hot dense matter. The training is aimed at advanced PhD students, postdocs and other young researchers. The information exchange will span several disciplines from molecules to materials and from method developments to data treatments. Topics related to energetic events and electronically excited states are emphasized throughout the programme.

The schedule features lectures by international experts, invited and contributed research talks, posters and discussion sessions, with ample time available for interaction and discussions.

Physical Chemistry Chemical Physics is delighted to sponsor the prizes for the best posters at the meeting.

Submit your abstract before 20 November 2017. 

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10th Liblice Conference on the Statistical Mechanics of Liquids

The 10th Liblice Conference on the Statistical Mechanics of Liquids will be taking place at the Šumava National Park in Srní, Czech Republic between the 17-22 June 2018.

The upcoming 10th conference will follow the spirit of the previous meetings to provide an effective forum for contacts and for the exchange of ideas, with an emphasis on discussions rather than on formal presentations, highlighting achievements and challenges in both theoretical and applied aspects of the discipline. The program will include recent developments in the fields of:

  • Liquid-state theories
  • Molecular simulation: methodology and force field development
  • Fluid interfaces and confined fluids
  • Aqueous systems, including electrolytes
  • Soft matter
  • Nucleation; supercooled/glassy states
  • Active matter

The deadline for registration and abstract submission is 17 December 2017.

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Ultrafast chemistry themed collection now online

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed collection on XUV/X-ray light and fast ions for ultrafast chemistry is now online and free to access until the end of November 2017.

Guest Edited by Manuel Alcamí, Paola Bolognesi and Luis Bañares, in collaboration with the XLIC COST Action, this collection of articles showcases research on the understanding, monitoring and control of the complex ultrafast electronic and nuclear dynamics that occur in molecules when a large amount of energy is deposited via XUV/X-ray photon absorption or fast-ion collisions.

Read the full collection online

Editorial
XUV/X-ray light and fast ions for ultrafast chemistry
P. Bolognesi, L. Bañares and M. Alcamí
Phys. Chem. Chem. Phys., 2017, 19, 19533-19535. DOI: 10.1039/C7CP90137B

Perspective
A perspective for investigating photo-induced molecular dynamics from within with femtosecond free electron lasers
Nora Berrah
Phys. Chem. Chem. Phys., 2017, 19, 19536-19544. DOI: 10.1039/C7CP01996C

Paper
A fully general time-dependent multiconfiguration self-consistent-field method for the electron–nuclear dynamics
Ryoji Anzaki, Takeshi Sato and Kenichi L. Ishikawa
Phys. Chem. Chem. Phys., 2017, 19, 22008-22015. DOI: 10.1039/C7CP02086D

Paper
Ab initio calculation of inelastic scattering
Andrés Moreno Carrascosa and Adam Kirrander
Phys. Chem. Chem. Phys., 2017, 19, 19545-19553. DOI: 10.1039/C7CP02054F

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ECPC-2017 Poster Prize Winners!

Physical Chemistry Chemical Physics would like to say a big congratulations to the winners of the poster prizes at this year’s European Conference on Physical Chemistry (ECPC-2017).

PCCP sponsored two prizes at the conference and these were awarded to Natalia Esteves-López and Federico Dapiaggi. Congratulations to both!

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New PCCP Associate Editor: Anna Krylov

We are delighted to welcome Anna Krylov as our newest Physical Chemistry Chemical Physics Associate Editor.

Anna Krylov, University of Southern California, USA

ORCiD orcid.org/0000-0001-6788-5016

Anna Krylov is the Gabilan Distinguished Professor in Science and Engineering and a Professor of Chemistry at the University of Southern California working in the area of theoretical and computational quantum chemistry. Born in Donetsk, Ukraine, Krylov received her M.Sc. from Moscow State University and her Ph.D. from the Hebrew University of Jerusalem, where she worked on molecular dynamics in rare gas clusters and matrices under the supervision of Professor Benny Gerber. Upon completing her Ph.D., she joined the group of Prof. Martin Head-Gordon at the University of California, Berkeley as a postdoctoral research associate, where she became involved with electronic structure method development. In 1998, she joined the Department of Chemistry at USC.

Professor Krylov’s research is focused on theoretical modeling of open-shell and electronically excited species. She develops robust black-box methods to describe complicated multi-configurational wave functions in single-reference formalisms, such as coupled-cluster and equation-of-motion approaches. She developed the spin-flip approach, which extends coupled-cluster and density functional methods to diradicals, triradicals, and bond-breaking. Krylov also develops many-body theories for describing metastable electronic states (resonances) and tools for spectroscopy modeling (including non-linear optical properties). Using the tools of computational chemistry, and in collaboration with experimental laboratories, Krylov investigates the role that radicals and electronically excited species play in combustion, gas- and condensed-phase chemistry, solar energy, bioimaging, and ionization-induced processes in biology.

Professor Krylov’s research has been recognized by several awards including the Dirac medal from the World Association of Theoretical and Computational Chemists (WATOC), Theoretical Chemistry Award from the Physical Chemistry Division of the American Chemical Society, and Bessel Research Award from the Humboldt Foundation. She is a Fellow of the American Physical Society, the American Chemical Society, and the American Association for the Advancement of Science. Krylov is an elected member of the International Academy of Quantum Molecular Science and a Board Member of WATOC.

I am delighted to serve the community as an Associate editor of PCCP. Since its inception, PCCP has been promoting high-quality rigorous research, by providing excellent peer-reviewed publication platform.”

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

  • Theoretical studies and methods
  • Kinetics, spectroscopy
  • Energy storage/conversion
  • Electrochemistry

Submit your best work in these areas to Anna now.

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Surface Enhanced Raman Scattering – SERS: Faraday Discussions – final registration deadline

This is your last chance to register to attend the upcoming Surface Enhanced Raman Scattering – SERS: Faraday Discussions (30 August – 1 September 2017, Glasgow, United Kingdom) as the final registration deadline is just a few days away. Be sure to register by 31 July 2017 to secure your place.

For full details of speakers and conference themes, please visit the event web page here.

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2nd European Conference on Physical Chemistry (ECPC-2017)

The 2nd European Conference on Physical Chemistry (ECPC-2017) will be held during September 24-27 2017 at Borgo, Corsica (France). The objective of this conference is to bring together researchers form countries all over Europe and keep abreast with the recent developments in this highly interdisciplinary field and will be of crucial importance for shaping the European scientific community. Physical Chemistry Chemical Physics (PCCP) is pleased to be supporting the event.

Physical Chemistry Chemical Physics (PCCP) Advisory Board member Wolfgang Lubitz will be present at the conference as a plenary lecturer.

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Femtochemistry Conference 2017 (FEMTO13)

Femtochemistry Conference (FEMTO13) will take place in Cancún, México between 12-17 August 2017. FEMTO13 will bring together scientists from all over the world to present and discuss the most recent advances in femtoscience, including reaction dynamics; solvation phenomena; dynamics at interfaces; dynamics in biological systems; attosecond electron dynamics; and strong-field science and control of laser matter interactions; with contributions from both theory and experiment.

Physical Chemistry Chemical Physics (PCCP) will be supporting the event, contributing prizes for the best poster submissions, while PCCP Advisory Board member Dan Neumark will be present at FEMTO13 as an invited speaker.

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RSC Poster Prize Winners at Bunsentagung 2017

The 116th General Assembly of the German Bunsen Society for Physical Chemistry took place between 25-27 May 2017, at the Technische Universität Kaiserslautern in Germany.

Physical Chemistry Chemical Physics (PCCP) Executive Editor Anna Simpson was at the event and presented the winners of the Poster Award with their certificates during the Closing Ceremony on Saturday 27 May 2017. This year’s winners were:

Michael Erkelenz
Universität Duisburg-Essen/D
“Synthesis and Characterization of Small Gold Nanorods for Cellular Uptake by Neutrophil Granulocytes”
Vasileios Balos
Max Planck Institute for Polymer Research, Mainz/D
“Hofmeister Effects in aqueous Oligopeptide solutions: The Termini matter for Guanidinium salts”
Jan Neumann
Universität Rostock/D
“A Molecular Dynamics Simulation Study of Like-Charged Hydrogen Bonding in Ionic Liquids”
Matthias Klein
TU Kaiserslautern/D
“Infrared spectroscopic investigations of N2 adsorbed to cold Rhodium Iron alloy cluster cations”
Corinna Stumm
Universität Erlangen-Nürnberg
“Electro-catalytic CO Oxidation on UHV- Prepared Pt/Co3O4(111) Model Catalysts Studied by Electrochemical Infrared Reflection Absorption Spectroscopy”
René Dallinger
Freie Universität Berlin/D
“Investigation of iron and silicon oxide formation in single levitated micro droplets by Raman and X-Ray fluorescence spectroscopy”
Ann-Kathrin Froin
TU Dortmund
“Entwicklung und Charakterisierung selbst-schwimmender Mikrokapseln mit biologischem Vorbild”
Ann-Katrin Baumann
Universität Kiel/D
“Sub-Monolayer NIR-ew-CRD Spectroscopy: Picosecond Versus Continuous Wave Laser Excitation”
Jessica Kräuter
Universität Oldenburg/D
“Adsorption of acetone on TiO2 rutile(110)”

Back row, L-R: Anna Simpson, René Dallinger, Matthias Klein, Michael Erkelenz , Vasileios Balos, Markus Gerhards
Front row, L-R: Uwe Nickel, Jan Neumann, Ann-Kathrin Froin, Corinna Stumm, Jessica Kräuter, Ann-Katrin Baumann

Congratulations to each of the winners!

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