Archive for July, 2020

Open for Nominations: 2021 PCCP Emerging Investigator Lectureship and Themed Issue

PCCP Emerging Investigator Lectureship

Lectureship and Themed Issue details

Recognising and supporting the significant contribution of early career researchers in physical chemistry, chemical physics and biophysical chemistry, the lectureship is a platform for early career physical chemists to showcase their research to the wider scientific community.

The lectureship recipient will receive £1000 to cover travel and accommodation costs to attend and present at a leading international meeting in 2021. The recipient will also be invited to contribute a Perspective article to PCCP. In addition, selected nominees will be invited to submit to the PCCP Emerging Investigator Themed Issue. You can read the inaugural 2020 Emerging Investigator Themed Issue here.

Eligibility
To be eligible for the lectureship and themed issue, candidates must:
•    Have completed their PhD 
•    Be actively pursuing an independent research career within physical chemistry, chemical physics or biophysical chemistry.
•    Be at an early stage of their independent career (typically this will be within 10 years of completing their PhD, but appropriate consideration will be given to those who have taken a career break or followed a different study path).

Selection criteria, nomination and judging process
•    Nominations must be made via email to pccp-rsc@rsc.org using the PCCP Emerging Investigator nomination form and a letter of recommendation.
•    Nominators may only nominate one candidate for consideration per year.
•    Individuals cannot nominate themselves for consideration.
•    Selection will be made by the PCCP Editorial Board. The Lectureship winner will be selected in quarter four of 2020 and announced before the end of the year.
•    The Lectureship winner will be selected based on their nomination, with due consideration given to the letter of recommendation, candidate biography, research achievements, previous PCCP publications and overall publication history.
•    Selected shortlisted nominees, as chosen by the PCCP Editorial Board, will be invited to submit to the 2021 PCCP Emerging Investigator Themed Issue following the Lectureship winner selection.

Submit a nomination
To be considered for the 2021 Lectureship and Themed Issue, the following must be sent to the Editorial Office
•    A letter of recommendation
•    A complete nomination form 

Submission deadline: 14 September 2020

 

Download nomination form 

Submit nomination with letter of recommendation

 

Find out more about our previous winner’s: 

Dr Federico Calle-Vallejo, University of Barcelona (2019 winner)
Professor Debashree Ghosh, Indian Association for the Cultivation of Science (2018 winner)
Professor Ryan P. Steele, University of Utah (2017 winner) 
Dr David Glowacki, University of Bristol (2016 winner)
Read a selection of their work in the PCCP Emerging Investigator Lectureship Winners Collection.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

PCCP Editor’s Choice: John Zhang Selects Outstanding Articles. Read now for free

Associate Editor John Zhang has selected some outstanding research to share with you from Physical Chemistry Chemical Physics (PCCP). Read them now for free until the end of October 2020!

John Zhang is professor of chemistry at New York University Shanghai and Director of NYU-ECNU Center for Computational Chemistry at NYU Shanghai. His current research focuses on protein structure and dynamics, fragment quantum chemistry study of biomolecules, polarizable force field, protein-ligand interaction, protein-protein interaction, ab initio molecular dynamics study of biomolecules and computational drug design.

Submit your research to John here

Read John’s choices for free now:

Perspective
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems?
Mattia Bondanza, Michele Nottoli, Lorenzo Cupellini, Filippo Lipparini and Benedetta Mennucci
Phys. Chem. Chem. Phys., 2020, Advance Article. DOI: 10.1039/D0CP02119A

Paper
On the polarization of ligands by proteins
Soohaeng Yoo Willow, Bing Xie, Jason Lawrence, Robert S. Eisenberg and David D. L. Minh
Phys. Chem. Chem. Phys., 2020, 22, 12044-12057. DOI: 10.1039/D0CP00376J

Paper
Are 2D fingerprints still valuable for drug discovery?
Kaifu Gao, Duc Duy Nguyen, Vishnu Sresht, Alan M. Mathiowetz, Meihua Tu and Guo-Wei Wei
Phys. Chem. Chem. Phys., 2020, 22, 8373-8390. DOI: 10.1039/D0CP00305K

Paper
Impact of electronic polarizability on protein-functional group interactions
Himanshu Goel, Wenbo Yu, Vincent D. Ustach, Asaminew H. Aytenfisu, Delin Sun and Alexander D. MacKerell
Phys. Chem. Chem. Phys., 2020, 22, 6848-6860. DOI: 10.1039/D0CP00088D

Paper
How do mutations affect the structural characteristics and substrate binding of CYP21A2? An investigation by molecular dynamics simulations
Baihui Lin, Hongxing Zhang and Qingchuan Zheng
Phys. Chem. Chem. Phys., 2020, 22, 8870-8877. DOI: 10.1039/D0CP00763C

 

We hope you enjoy reading the articles.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Submissions still welcome to the Quantum Computing and Quantum Information Storage themed collection

The submission deadline is fast approaching for the Physical Chemistry Chemical Physics (PCCP) Themed Collection on Quantum Computing and Quantum Information Storage, with Guest Editors:

John Doyle
Harvard University, USA
Anna Krylov (Associate Editor, PCCP)
University of Southern California, USA
Kang-Kuen Ni
Harvard University, USA

Quantum computing and information storage promise to revolutionize our information technology. Some basic theory of quantum computing has been established over the past two decades and researchers are on the cusp of quantum supremacy for truly useful systems. Yet, for quantum computing to become a reality we need to find a practical physical platform for realizing qubits with enough fidelity and depth to solve important problems. At present it is not clear what platform will succeed at this.

Molecules are a relative newcomer to the field (apart from the initial molecular NMR qubits that energized the field), but the power of such systems is easy to recognize with a myriad of internal quantum states and dipole coupling for quantum processing. The key goals are the ability to prepare, control, manipulate, and interrogate specific quantum states of interacting qubits, control their interactions and thus program an array of qubits. The current status quo in this field is reminiscent of the dawn of the first quantum revolution (which brought us GPS, MRI, and other amazing technologies): fundamental physics tells us that there are grounds for a powerful and transformative technology and informs us of what needs to be done to realize it, but the actual work and, consequently, the success of the entire endeavour is in the hands of scientists, who must find the right platform for qubits and the right physical tools to control them.

This topical collection will highlight physical chemistry/chemical physics aspects of quantum computing and quantum information storage and will welcome contributions from experimental and theoretical communities working on atomic, molecular, and optical aspects of emerging quantum information technology. Contributions focusing on application of quantum computing to physical problems are also welcome.

We welcome contributions of articles for this the collection including Communications, Full Papers and Perspectives. Please see our Author Guidelines for further information.

If you are interested in submitting a manuscript but are facing issues with the deadline or other aspects of the publishing process due to COVID-19, please get in touch to discuss options with the Editorial Office.

Deadline for submissions: 30 July 2020

Articles can be submitted via our website: mc.manuscriptcentral.com/pccp. Please mention on submission that your manuscript is intended for this themed collection.

All articles will be subject to our fair and impartial peer-review process in the normal way. Accepted articles will be published online in a citeable form as soon as they are ready.

Please contact the Editorial Office with any questions you may have.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)