PCCP Blog

PCCP themed issue:
Fragment and Localized Orbital Methods in Electronic Structure Theory
Guest Editors:
Gregory Beran (University of California at Riverside)
So Hirata (University of Illinois at Urbana-Champaign)

PCCP is delighted to announce the high-profile themed issue ‘Fragment and Localized Orbital Methods in Electronic Structure Theory’. It is our pleasure to invite you to submit to this themed issue.

The themed issue will be published in PCCP in 2012 and will be displayed at relevant international conferences in summer 2012 to maximise the visibility of the work published.

Deadline for Submissions: 28 November 2011

With broad and increasing interest in condensed-phase chemistry and physics, the past few years have seen remarkable progress in the development and application of new, accurate electronic structure methods that are applicable to chemistry in solution, molecular crystals, and biological systems. These achievements stem from both the development of new approaches for handling the large length-scales inherent in such systems (e.g. divide-and-conquer schemes and local correlation methods) and on new physical insights and algorithms that reduce the steep computational cost of calculating the important physical interactions accurately (e.g. symmetry-adapted perturbation theory). The combination of these approaches is effecting a rapid scientific transformation in which accurate quantum chemistry predictions are becoming feasible for complex systems.

By gathering works from these different areas, this themed issue will serve as a focal point that will highlight the tremendous progress that has been made and will help foster new ideas for future advances. The issue plans to cover both the latest methodological advances in the area and state-of-the-art applications to molecular crystals, proteins, nanomaterials, molecular excited states in solutions, and much more.

Manuscripts can be submitted in any reasonable format using our online submissions service. Submissions should be high quality manuscripts of original, unpublished research. Please indicate upon submission that your manuscript is intended for this themed issue.

Submit to this themed issue

PCCP themed issue: Ultrafast Chemical Dynamics
Guest Editors:
Neil T. Hunt (University of Strathclyde)
Klaas Wynne (University of Glasgow)

PCCP is delighted to announce the high-profile themed issue ‘Ultrafast Chemical Dynamics’. It is our pleasure to invite you to submit to this themed issue.

The themed issue will be published in PCCP in 2012 and will be displayed at relevant international conferences to maximise the visibility of the work published.

Deadline for Submissions: 14 November 2011

This themed issue will encompass the current state-of-the-art in ultrafast spectroscopy and its application to the chemical sciences. This field has made significant progress in recent years and now includes femtosecond X-ray techniques, multidimensional infrared and visible spectroscopy, terahertz spectroscopies, and surface-sensitive techniques with physical applications being found in gas, liquid, and solid phases covering a broad range of time and length scales.

Topics that will be covered include:

• ultrafast dynamics of reaction in proteins
• ultrafast structure and dynamics of liquids and solutions
• ultrafast chemical processes at interfaces
• ultrafast dynamics of electronically excited states
• ultrafast atomic structure and dynamics in the solid state (fsXrays)

Manuscripts can be submitted in any reasonable format using our online submissions service. Submissions should be high quality manuscripts of original, unpublished research. Please indicate upon submission that your manuscript is intended for this themed issue.

Submit a paper to the Ultrafast Chemical Dynamics themed issue

PCCP is delighted to present issue 24, which includes a collection of articles on the theme of Hydrogen Interactions with Diamond.

The issue was Guest Edited by John Foord (University of Oxford) and Alon Hoffman (Technion Inst. Israel), and brings important areas of this large body of research together in a single issue, which focuses on the basic physical science which underlies the interaction of hydrogen with diamond materials.

Take a look at this great themed collection on Hydrogen Interactions with Diamond today!

Want to read more about our themed issues? Please visit the ‘Themed Issues’ page on our website.