MSDE
MSDE Emerging Investigators Series
Submissions open:
1 January 2022
Deadline:
Ongoing
Guest Editor(s):
N/A
MSDE is proud to present its Emerging Investigators Series. This collection gathers the very best work from scientists in the early stages of their independent careers. It highlights up-and-coming scientists in the early stages of their independent careers in recognition of their potential to influence future directions in the field of molecular engineering.
PCCP
Molecular Dynamics in the Gas Phase
Submissions open:
Open for submissions now
Deadline:
28 July 2023
Guest Editor(s):
Henning Zettergren (Stockholm University) and Alicja Domaracka (CNRS-CIMAP)
This themed collection aims to highlight recent experimental and theoretical advances to unravel the connection between the initial energy transfer in interactions between isolated molecules or clusters and photons, electrons, or heavy particles (ions, atoms, molecules), and the related molecular dynamics on timescales spanning more than twenty orders of magnitude - from attoseconds to minutes and beyond. This new knowledge is important for fundamental atomic and molecular physics, chemical physics and physical chemistry, and for a broad range of applications in e.g. astrophysics and -chemistry, atmospheric science, radiotherapy and radiation damage on the nanoscale.
The SAMPL Challenges: SAMPL8 and SAMPL9
Submissions open:
Open for submissions now
Deadline:
28 August 2023
Guest Editor(s):
David Mobley (University of California, Irvine)
The Statistical Assessment of the Modeling of Proteins and Ligands (SAMPL) series of blind predictive challenges (see www.samplchallenges.org) have served the computational/physical/medicinal chemistry communities since approximately 2008, and under NIH funding since 2018. These challenges pit computational methods head-to-head in predicting properties of relevance to pharmaceutical drug discovery, such as small molecule pKa, partitioning and distribution, host-guest binding, and even, in some cases, protein-ligand binding.
Fundamental Basis of Mechanochemical Reactivity
Submissions open:
Open for submissions now
Deadline:
31 August 2023
Guest Editor(s):
Adam A.L. Michalchuk (University of Birmingham, UK) and Francesco Delogu (University of Cagliari, Italy)
Mechanochemistry is arguably the oldest form of chemical reactivity consciously used by human beings. When one thinks of metallurgy and medicinal remedies, mechanochemical methods have been at the core of societal development. Their long journey across human history has today led mechanochemical technologies to become an exciting option for sustainable chemistry and materials science. In view of their many possible applications, there is a growing need to understand how mechanical energy drives physico-chemical transformations in individual molecules as well as in complex materials, which requires a non-traditional way of thinking about chemical reactivity. Though much progress has been made, developing fundamental principles for mechanochemical reactivity is a daunting task. Many mechanochemical reactions involve concerted processes that occur over many lengths and time scales, whereas most experimental and theoretical tools do not cover such breadth. Moreover, it is often not even clear what role mechanical force plays in a given mechanochemical reaction, or if a mechanochemical reaction is unique from thermo- or photochemical transformations.
Bunsen-Tagung: Physical Chemistry of the Energy Transition
Submissions open:
Open for submissions now
Deadline:
30 November 2023
Guest Editor(s):
Timo Jacob (Ulm University), Swetlana Schauermann (Kiel University), Robert Schlögl (Fritz Haber Institute of the Max Planck Society), and Alec Wodtke (University of Göttingen)
This themed collection is devoted to the 122nd Bunsen-Tagung meeting taking place on 5th-7th June 2023 in Berlin, Germany, in collaboration with the Deutsche Bunsen-Gesellschaft für physikalische Chemie (DBG), one of the Owner Societies of PCCP. The focus of this annual meeting of the Bunsen Society for Physical Chemistry is on the Physical Chemistry of the Energy Transition. Recognizing that physical chemistry stands at the centre of efforts to obtain a deeper understanding of materials and molecular processes involved in energy transformation that hold the keys to future technology innovation and development, the DBG and the organizing committee of this year’s Bunsen-Tagung are pleased to invite contributions describing recent research in physical chemistry either to the main topic of energy transformations or to the general topics of Physical Chemistry. Contributions covering fundamental or applied, experimental or theoretical work (and all combinations) are all highly appreciated.
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