Author Archive

Isolated Biomolecules Biomolecular Interactions (IBBI12018)

The 10th edition of the Isolated Biomolecules Biomolecular Interactions (IBBI2018) will be held in Texel, The Netherlands from 8-13 April 2018. IBBI2018 will provide a scientifically stimulating and interesting program, with oral and poster presentations, lively discussions with other scientists in the field and social events.

“The IBBI conference series  bring together scientists from all over the world to present and discuss the most recent advances on Isolated Biomolecules and Biomolecular Interactions. The focus of the IBBI conferences lies on gaseous molecules of biological interest studied by spectroscopic, mass-spectrometric and theoretical methods, but also contributions addressing new, emerging and related techniques are welcomed”.

Physical Chemistry Chemical Physics (PCCP) Associate Editor Anouk Rijs will be organising and chairing the conference.

PCCP and Analyst are pleased to support the meeting and provide four poster prizes.

The deadline for early-bird registration is 31 January. Late registration will close on 15 March.

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22nd European Conference on the Dynamics of Molecular Systems

The 22nd European Conference on the Dynamics of Molecular Systems will be taking place in Dinard, France between the 26-31 August 2018. The aim of this conference series is to highlight experimental and theoretical aspects of atomic and molecular interactions. At MOLEC 2018, the focus will be on the following, non-exhaustive, list of topics:

  • Molecular collisions
  • Fundamental problems in molecular dynamics
  • Ultracold atoms and molecules
  • Molecular dynamics in condensed phases
  • Photon-matter interactions
  • Astrophysics and astrochemistry
  • Atmospheric chemistry
  • Femtochemistry
  • Coherent control of molecular processes

PCCP is pleased to support the meeting and provide two poster prizes.

Registration for the event opens on 1 February and closes on 20 July. Abstract submission closes on 12 July.

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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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