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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2017 PCCP Emerging Investigator Lectureship: awarded to Professor Ryan P. Steele

The PCCP Emerging Investigator Lectureship aims to recognise and support an emerging scientist working in physical chemistry, chemical physics or biophysical chemistry who is making an outstanding contribution to their field and is at an early stage of their career.

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 2017 PCCP Editorial Board meeting, at which, Professor Ryan P. Steele, University of Utah was selected as the 2017 recipient.

Professor Steele’s research focuses on in fundamental physical chemistry and problems in which unique electronic structure leads to interesting nuclear dynamics. He develops theoretical methods that efficiently interface accurate electronic structure theory with electronic and nuclear dynamics.

As part of the Lectureship, Professor Steele will be awarded a travel bursary of £1000 to attend and present at a leading international event in 2018, where he will be presented his Lectureship award. Professor Steele has also been invited to contribute a Perspective article to PCCP.

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

Nominations for the 2018 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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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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Celebrating Women in Chemistry on the 150th Anniversary of Marie Curie’s Birthday

Written by PCCP Editorial Board member, Professor Anna Krylov.

November 7, 2017 is the 150th anniversary of Marie Skłodowska-Curie‘s birthday. Curie’s life exemplified the challenges that women aspiring to creative and rewarding intellectual endeavours faced even in the Age of Enlightenment.  Today, we are fortunate to live in a time when college education and science careers are open to women (at least, in most countries). Yet, there are still many barriers, biases, and inequalities that women pursuing careers in science and technology face.  One pervasive problem is a perception of intellectual inferiority of women; examples include public remarks by former Harvard president Larry Summers and a recent manifesto of a Google engineer. What I find mind-boggling is that these beliefs survive despite overwhelming objective evidence of female excellence in STEM fields. However, the perception is reinforced by another phenomenon: under-appreciation and under-recognition of women’s contributions and achievements in STEM.

To mark the 150th birthday of Marie Curie, the Journal of Physical Chemistry has published a compilation of papers highlighting female physical chemists. The breadth of topics covered in these papers and the quality of science they present make a powerful statement.  The Editorial shares several facts about the history of female authorship, including the reference to Curie’s 1901 paper, which is believed to be the first paper by a female author published in the journal.

At PCCP we have an ongoing commitment to diversity, and proud history of publishing work from female authors and striving to ensure a balanced Editorial Board which is reflective of the field. Yet, of course more work towards achieving a level playing field will be done.

To celebrate Marie Curie’s birthday, we have collated a gallery of cover images of PCCP papers to highlight just some of the excellent contributions made to the journal by female scientists in the physical chemistry field. We hope you enjoy them.

Anna KrylovPCCP Editorial Board member

The articles include:

In search of metal hydrides: an X-ray absorption and emission study of [NiFe] hydrogenase model complexes
Serena DeBeer et al.
Phys. Chem. Chem. Phys., 2016, 18, 10688. DOI: 10.1039/C5CP07293J

The role of alkali metal cations in the stabilization of guanine quadruplexes: why K+ is the best
Fonseca Guerra et al.
Phys. Chem. Chem. Phys., 2016, 18, 20895. DOI: 10.1039/C6CP01030J

Phosphine passivated gold clusters: how charge transfer affects electronic structure and stability
Doreen Mollenhauer and Nicola Gaston
Phys. Chem. Chem. Phys., 2016, 18, 29686. DOI: 10.1039/C6CP04562F

Chirped-pulse Fourier transform millimeter-wave spectroscopy of ten vibrationally excited states of i-propyl cyanide: exploring the far-infrared region
Amanda L. Steber, Melanie Schnell et al.
Phys. Chem. Chem. Phys., 2017, 19, 1751. DOI: 10.1039/C6CP06297K

Fingerprints of inter- and intramolecular hydrogen bonding in saligenin–water clusters revealed by mid- and far-infrared spectroscopy
Marie-Pierre Gaigeot, Edwin L. Sibert III, Anouk M. Rijs et al.
Phys. Chem. Chem. Phys., 2017, 19, 20343. DOI: 10.1039/C7CP01951C

Dewetting acrylic polymer films with water/propylene carbonate/surfactant mixtures – implications for cultural heritage conservation
Debora Berti et al.
Phys. Chem. Chem. Phys., 2017, 19, 23723. DOI: 10.1039/C7CP02608K

The effect of π-stacking, H-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases: adenine–adenine, thymine–thymine and adenine–thymine dimers
Krylov et al.
Phys. Chem. Chem. Phys., 2010, 12, 2292. DOI: 10.1039/B919930F

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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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