Author Archive

A PCCP Themed Collection, now open for Submissions – “Stability and properties of new-generation metal and metal-oxide clusters down to the subnanometer scale: synthesis, experimental characterization, and theory”

Physical Chemistry Chemical Physics is delighted to announce a call for papers for its latest themed collection on “Stability and properties of new-generation metal and metal-oxide clusters down to the subnanometer scale: synthesis, experimental characterization, and theory” to be promoted in 2022.

Guest Edited by: María Pilar de Lara-Castells (Institute of Fundamental Physics (CSIC)), Cristina Puzzarini (University of Bologna), Vlasta Bonačić-Koutecký (Humboldt University of Berlin), Stefan Vajda (Czech Academy of Sciences) and M. Arturo López-Quintela (University of Santiago de Compostela)

This collection will be devoted to the latest advances in the field of metal and metal-oxide clusters. Recent joint theoretical-experimental research has shown that subnanometer-sized metal clusters, and more generally atomically precise clusters or even single atoms, possess special chemical and physical properties due to singular quantum effects, making them innovative materials for applications including luminescence, sensing, bioimaging, theranostics, energy conversion, catalysis, and photocatalysis. This themed collection is driven by the conviction that further steps in shaping this modern field require a tight collaboration between experimentalists with a deep and broad expertise and theoreticians working on suitable models of both unsupported (in air, solution, or biologically relevant environments) and surface-supported metal and metal oxide clusters. For this reason, a special emphasis will be given to the interplay between experiment and theory. The themed collection is intended to bring together theory (including first-principles approaches combining DFT-based and high-level ab initio theories), fundamental-oriented research in vacuum attached to rare gas clusters, in particular helium nanodroplets, as well as hydrocarbon, metallic and inorganic clusters produced at low temperatures with the focus on their formation, stability, interaction with liquid helium environments, and reactivity at astrophysically relevant conditions. In addition, the collection includes the most applied-oriented research of metal and metal oxide clusters in solution, covering nano- and subnanometer ranges.

This call for papers is open for the following article types:

·       Communications

·       Full papers

·       Reviews and Perspectives

 

Open for Submissions until 31st July 2022

If you would like to contribute to this themed collection, you can submit your article now, directly through the journal’s online submission service at https://mc.manuscriptcentral.com/pccp. Please answer the themed collection question in the submission form when uploading your files to say that this is a contribution to the themed collection and add a “Note to the Editor” that this is from the Open Call. The Editorial Office reserves the right to check suitability of submissions in relation to the scope of both the journal and the collection, and inclusion of accepted articles in the final themed issue is not guaranteed.

Submissions to the journal should include significant innovation and/or insight into physical chemistry. Please see the journal’s website for more information on the journal’s scope, standards, article types and author guidelines.

With best wishes,

The Guest Editors

 

María Pilar de Lara-Castells

Institute of Fundamental Physics (CSIC)

Cristina Puzzarini

University of Bologna

Vlasta Bonačić-Koutecký

Humboldt University of Berlin

Stefan Vajda

Czech Academy of Sciences

M. Arturo López-Quintela

University of Santiago de Compostela

Vikki Pritchard

Royal Society of Chemistry, Deputy Editor

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PCCP congratulates the presentation prize winners of the School of Physical Chemistry 2021 (Italian Chemical Society)

PCCP are delighted to announce the winners of the oral presentation prizes from the virtual School of Physical Chemistry 2021, run by the Physical Chemistry Division of one of our Owner Societies, the Italian Chemical Society (Società Chimica Italiana).

The four winners were:

Ola El Samrout

 for the talk entitled “Evidence for specific arrangements of surface sites of silica that promote peptide formation”

Rita Gelli

 for the talk entitled “Calcium and magnesium phosphate-based materials: interactions with soft matter and biomedical applications”

Andreas Santamaria

for the talk entitled “Endocytosis across scales: from molecular structures to a functional process”

Chiara Pelosi

for the talk entitled “Physico-chemical stability of protein-polymer conjugates in solution”

 

Congratulations to all! We look forward to seeing where you research will go.

 

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PCCP has expanded its scope

Physical Chemistry Chemical Physics is redefining its scope.
 
PCCP has always been a home for work from across the breadth of physical chemistry, chemical physics and biophysical chemistry, in both experimental and theoretical fields. In light of the growth of computational and quantum chemistry over recent years, and with the emergence of machine learning and artificial intelligence (AI), PCCP is redefining its scope to explicitly include the emerging areas of quantum computing, machine learning and the data science field.
 
The updated journal scope statement can be found below:
 
The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

To facilitate submissions in this rapidly developing area, PCCP is delighted to appoint an additional Associate Editor in the growing fields of machine learning and data science. A separate announcement will be made shortly.
 
By expanding its scope, PCCP will now explicitly provide a home for physical chemistry, chemical physics and biophysical chemistry research spanning all four pillars of modern physical chemistry: experiment, theory, computation and data science.
 
For examples of the type of work PCCP would consider under the expanded scope please see our recent themed collection on quantum computing or the articles below:
 
High-throughput experimentation meets artificial intelligence: a new pathway to catalyst discovery
Katherine McCullough, Travis Williams, Kathleen Mingle, Pooyan Jamshidi and Jochen Lauterbach
Phys. Chem. Chem. Phys., 2020, 22, 11174-11196

Application and assessment of deep learning for the generation of potential NMDA receptor antagonists
Katherine J. Schultz, Sean M. Colby, Yasemin Yesiltepe, Jamie R. Nuñez, Monee Y. McGrady and Ryan S. Renslow
Phys. Chem. Chem. Phys., 2021, 23, 1197-1214

Machine learning approaches to understand and predict rate constants for organic processes in mixtures containing ionic liquids
Tamar L. Greaves, Karin S. Schaffarczyk McHale, Raphael F. Burkart-Radke, Jason B. Harper and Tu C. Le
Phys. Chem. Chem. Phys., 2021, 23, 2742-2752

DRACON: disconnected graph neural network for atom mapping in chemical reactions
Filipp Nikitin, Olexandr Isayev and Vadim Strijov
Phys. Chem. Chem. Phys., 2020, 22, 26478-26486

In conjunction with the scope expansion of PCCP, the RSC are also pleased to announce further developments in our portfolio with the launch of Digital Discovery, a new fully Open Access journal, which will focus on the integration of digital and automation tools with broadly defined science but anchored in chemistry. For more information, please see: www.rsc.li/digitaldiscovery.
 
PCCP looks forward to welcoming your next submission belonging to any of the four pillars of physical chemistry: experiment, theory, computation or data science.
 
Get in touch if you have any questions about our expanded scope.
Dr Anna Simpson
Executive Editor, PCCP
Royal Society of Chemistry
Professor David Rueda
Editorial Board Chair, PCCP
Imperial College London
Professor Wolfgang Ernst
Ownership Board Chair, PCCP
Graz University of Technology
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