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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From a PCCP Associate Editor’s Desk

Professor Ayyappanpillai Ajayghosh, National Institute for Interdisciplinary Science and Technology (NIIST)

Dr. Ayyappanpillai Ajayaghosh is the Director of the CSIR-National Institute for Interdisciplinary Science and Technology (CSIR-NIIST), Thiruvananthapuram, India and is a Professor and former Dean of Chemical Sciences, Academy of Scientific and Innovative Research (AcSIR). His research contributions are in the interdisciplinary areas of organic photoresponsive materials, supramolecular chemistry, molecular self-assembly, organogels, molecular probes and sensors. He has developed a new class of functional soft materials namely pi-gels having potential applications in energy harvesting, sensing and security materials. His scientific contributions are recognized with the prestigious awards a few of these includes Shanti Swarup Bhatnagar Prize for Chemical Sciences (2007), the Infosys Science Prize (2012), the Silver Medal of the Chemical Research Society of India (2013), the TWAS Prize for Chemistry (2013) and the J. C. Bose National Fellowship (2015). He is a fellow of the three major science academies of India and is a fellow of the World Academy of Sciences. He is an Associate Editor of PCCP and shares some of his thoughts & experiences.

 

Question: Could you share a short story on your most inspiring/satisfying research?

Answer: I believe my main contribution in science is the development of a new class of soft materials called π-gels made of self-assembled π-conjugated molecules. Most of these materials are fluorescent which a sensitive property is and hence these materials have potential applications in sensing, imaging and security. Our contributions in this area are well recognized nationally and internationally. It is very satisfying to note that the scientific community across the globe recognizes us.

 

Question: What, in your opinion has been the most exciting part of being an Associate Editor?

Answer: Associating with a journal from Royal Society of Chemistry is a prestige to any chemist, so is for me. The most exciting and interesting aspect, being an Associate Editor is the opportunity to read articles fresh before publishing. I enjoyed reading some of the best Physical Chemistry related work on soft materials. It is also exciting to see that many of the young researchers are impressed by the quality of PCCP and therefore submission to PCCP from India is going up.

 

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Chemical Bonding and Reactivity Spanning the Periodic Table: A Symposium in Honor of Roald Hoffmann

PCCP recently sponsored the symposium “Chemical Bonding and Reactivity Spanning the Periodic Table: A Symposium in Honor of Roald Hoffmann”, which was held at the 254th American Chemical Society meeting in Washington DC, August 20-24, 2017.

This symposium honored distinguished American Chemist and Nobel Prize winner, Prof. Hoffmann, who turned 80 years old this summer. Prof. Hoffmann has been influential in shaping the thinking of chemists working in a plethora of different fields – as evidenced by the talks given in the symposium by around 75 Hoffmann alumni, collaborators and friends, which showcased research in theoretical approaches to organic, organometallic, inorganic, biological and materials chemistry, as well as how matter responds to conditions of extreme external pressure.

Primarily experimental work was also featured in the symposium, and a historical lecture about Hoffmann’s role in the development of the “Woodward-Hoffmann” rules was given. Many of the speakers also highlighted Hoffmann’s role as a wonderful mentor, patient teacher and inspiring collaborator, as well as his artistic and humanistic endeavors.

PCCP was delighted to be involved with the meeting, and support our authors in discussing and advance their fields by participating at the symposium.

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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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