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

Do you know an outstanding emerging scientist who deserves recognition?

Now welcoming nominations for the 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.

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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.

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

Submission deadline 30 July 2020. We know that this is a very challenging time for everyone, for many different reasons. If you are interested in submitting but will struggle to meet this deadline let us know and we will work out an answer together. Contact the journal at pccp@rsc.org

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.

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PCCP Editor’s Choice: Ron Naaman Selects Outstanding Articles. Read now for free

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

Born in Israel, Professor Ron Naaman earned his BSc in 1973 from Ben-Gurion University of the Negev, and his PhD in 1978 from the Weizmann Institute of Science. He worked as a postdoctoral researcher at Stanford University in California, and spent a year in the Department of Chemistry at Harvard University. In 1981, Professor Naaman joined the Weizmann Institute. From 1989-1995, Ron chaired the Institute’s Chemical Services Unit and from 1995-2000, he headed the Department of Chemical Physics. From 2008-2010, Prof. Naaman was the Chair of the Scientific Council at the Institute. Professor Naaman is the incumbent of the Aryeh and Mintzi Katzman Professorial Chair. His research focusses on studying interaction of electrons and their spin with organic and bio-related molecules.

 Submit your research to Ron here

Read Ron’s choices for free now:

Paper
Synergies and compromises between charge and energy transfers in three-component organic solar cells
Camillo Sartorio, Giuliana Giuliano, Michelangelo Scopelliti, Valeria Vetri, Maurizio Leone and Bruno Pignataro
Phys. Chem. Chem. Phys., 2020, 22, 8344-8352. DOI: 10.1039/D0CP00336K

Paper
Electric control of magnetization in an amorphous Co–Fe–Ta–B–O film by resistive switching
Siqi Yin, Chengyue Xiong, Cheng Chen and Xiaozhong Zhang
Phys. Chem. Chem. Phys., 2020, 22, 8672-8678. DOI: 10.1039/D0CP00824A

Paper
Electric-field control of single-molecule tautomerization
Shai Mangel, Maxim Skripnik, Katharina Polyudov, Christian Dette, Tobias Wollandt, Paul Punke, Dongzhe Li, Roberto Urcuyo, Fabian Pauly, Soon Jung Jung and Klaus Kern
Phys. Chem. Chem. Phys., 2020, 22, 6370-6375. DOI: 10.1039/C9CP06868F

Paper
Electric-field-mediated magnetic properties of all-oxide CoFe2O4/La0.67Sr0.33MnO3/Pb(Mg1/3Nb2/3)0.7Ti0.3O3 heterostructure
Ping Wang, Chao Jin, Dong Li, Yuchen Wang, Shasha Liu, Xinyue Wang, Xin Pang, Dongxing Zheng, Wanchao Zheng, Rongkun Zheng and Haili Bai
Phys. Chem. Chem. Phys., 2020, 22, 12651-12657. DOI: 10.1039/D0CP01374A

 

We hope you enjoy reading the articles.

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Frontiers in molecular simulation of solvated ions, molecules and interfaces PCCP themed issue now online and free to access

We are delighted to announce that the Physical Chemistry Chemical Physics (PCCP) themed issue Frontiers in molecular simulation of solvated ions, molecules and interfaces is now online and articles in the collection are free to access until the end of August 2020.

Predictive molecular simulation of condensed matter at finite temperature has come a long way from the first practical implementations of ab-initio or Car-Parrinello molecular dynamics thirty years ago.

Guest Edited by Professor Jochen Blumberger, Professor Marie-Pierre Gaigeot, Professor Marialore Sulpizi and Professor Rodolphe Vuilleumier, this themed issue provides a representative snapshot of latest and upcoming techniques and their applications at the forefront of this research area with a specific focus on the simulation of solvated ions, molecules and interfaces.

Read the collection online
It includes:

Editorial
Frontiers in molecular simulation of solvated ions, molecules and interfaces
Jochen Blumberger, Marie-Pierre Gaigeot, Marialore Sulpizi and Rodolphe Vuilleumier
Phys. Chem. Chem. Phys., 2020, 22, 10393-10396. DOI: 10.1039/D0CP90091E

Perspective
Tumbling with a limp: local asymmetry in water’s hydrogen bond network and its consequences
Hossam Elgabarty and Thomas D. Kühne
Phys. Chem. Chem. Phys., 2020, 22, 10397-10411. DOI: 10.1039/C9CP06960G

Perspective
DFT modelling of explicit solid–solid interfaces in batteries: methods and challenges
Kevin Leung
Phys. Chem. Chem. Phys., 2020, 22, 10412-10425. DOI: 10.1039/C9CP06485K

Communication
Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions
Yunqi Shao, Matti Hellström, Are Yllö, Jonas Mindemark, Kersti Hermansson, Jörg Behler and Chao Zhang
Phys. Chem. Chem. Phys., 2020, 22, 10426-10430. DOI: 10.1039/C9CP06479F

Paper
Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes
Beatrix M. Bold, Monja Sokolov, Sayan Maity, Marius Wanko, Philipp M. Dohmen, Julian J. Kranz, Ulrich Kleinekathöfer, Sebastian Höfener and Marcus Elstner
Phys. Chem. Chem. Phys., 2020, 22, 10500-10518. DOI: 10.1039/C9CP05753F

Paper
Raman spectrum and polarizability of liquid water from deep neural networks
Grace M. Sommers, Marcos F. Calegari Andrade, Linfeng Zhang, Han Wang and Roberto Car
Phys. Chem. Chem. Phys., 2020, 22, 10592-10602. DOI: 10.1039/D0CP01893G

We hope you enjoy reading the articles. Please get in touch if you have any questions about this themed issue of PCCP.

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PCCP Editor’s Choice: Luis Bañares Selects Outstanding Articles. Read now for free

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

Professor Luis Bañares is Chair of Physical Chemistry and Director of the Centre for Ultrafast Lasers at Universidad Complutense de Madrid (UCM), Spain. His research interests are related to experimental and theoretical chemical reaction dynamics and femtochemistry. His work focuses on the understanding of fundamental chemical reactions and photodissociation processes at a molecular level.

Submit your research to Luis here

Read Luis’s choices for free now:

Paper
State-to-state photodissociation dynamics of CO2 around 108 nm: the O(1S) atom channel
Jiami Zhou, Zijie Luo, Jiayue Yang, Yao Chang, Zhiguo Zhang, Yong Yu, Qinming Li, Gongkui Cheng, Zhichao Chen, Zhigang He, Li Che, Shengrui Yu, Guorong Wu, Kaijun Yuan and  Xueming Yang
Phys. Chem. Chem. Phys., 2020, 22, 6260-6265. DOI: 10.1039/C9CP06919D

Paper
Formation of highly excited iodine atoms from multiphoton excitation of CH3I
Kristján Matthíasson, Greta Koumarianou, Meng-Xu Jiang, Pavle Glodic, Peter C. Samartzis and Ágúst Kvaran
Phys. Chem. Chem. Phys., 2020, 22, 4984-4992. DOI: 10.1039/C9CP06242D

Paper
Laser-induced alignment dynamics of gas phase CS2 dimers
Adam S. Chatterley, Mia O. Baatrup, Constant A. Schouder and Henrik Stapelfeldt
Phys. Chem. Chem. Phys., 2020, 22, 3245-3253. DOI: 10.1039/C9CP06260B

Paper
Photoelectron spectroscopy of boron-containing reactive intermediates using synchrotron radiation: BH2, BH, and BF
P. Mukhopadhyay, D. Schleier, I. Fischer, J.-C. Loison, C. Alcaraz and G. A. Garcia
Phys. Chem. Chem. Phys., 2020, 22, 1027-1034. DOI: 10.1039/C9CP06010C

Paper
Time-resolved formation of excited atomic and molecular states in XUV-induced nanoplasmas in ammonia clusters
Rupert Michiels, Aaron C. LaForge, Matthias Bohlen, Carlo Callegari, Andrew Clark, Aaron von Conta, Marcello Coreno, Michele Di Fraia, Marcel Drabbels, Paola Finetti, Martin Huppert, Veronica Oliver, Oksana Plekan, Kevin C. Prince, Stefano Stranges, Vít Svoboda, Hans Jakob Wörner and Frank Stienkemeier
Phys. Chem. Chem. Phys., 2020, 22, 7828-7834. DOI: 10.1039/D0CP00669F

We hope you enjoy reading the articles.

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Gordon F. Kirkbright and Edward Steers Bursary Awards, 2021

The Gordon F. Kirkbright bursary award is a prestigious annual award that assists a promising early career scientist of any nation to attend a recognised scientific meeting or visit a place of learning. The fund for this bursary was established in 1985 as a memorial to Professor Gordon Kirkbright in recognition of his contributions to analytical spectroscopy and to science in general.

Owing to the generosity of one of our former trustees, an eminent atomic spectroscopist, Professor Edward B.M. Steers, we are now, from 2020, in the position of being able to award an annual Edward Steers bursary, in addition to the long standing Gordon Kirkbright bursary, to similarly assist a promising early scientist engaged in or utilising analytical spectroscopic techniques.

The ABS Trust defines early career as being either a student, or an employee in a non-tenured academic post or in industry, within 7 years of award of PhD excluding career breaks. The same conditions apply to each bursary.

Applications are invited for both the 2021 Gordon Kirkbright Bursary and the 2021 Edward Steers Bursary.  Although both funds are administered by the ABS Trust, the Kirkbright award is not restricted to spectroscopists, but is open to all involved with or utilising analytical science-based techniques.

Application Forms can be downloaded via:

http://www.abstrust.org/kirkbright-and-steers-bursary-awards

or for further information visit:

http://www.abstrust.org/ or contact abstrustuk@gmail.com

 

The closing date for entries is 30 November 2020.

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Announcing Quantum Computing and Quantum Information Storage themed collection

Submit your article by 30 July 2020 to be considered

We are excited to announce an upcoming themed collection in Physical Chemistry Chemical Physics (PCCP) 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.

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.

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PCCP Prize winners selected for the 100th Chemical Society of Japan Annual meeting

To celebrate the Chemical Society of Japan’s annual meeting, for over ten years PCCP and the CSJ have partnered to select, commend and celebrate the outstanding achievements of young scientists in the community.

While sadly the 100th Annual meeting of the Chemical Society of Japan had to be cancelled due to COVID-19 developments, the PCCP Prize Certificates for Outstanding Achievement of Young Scientists in Physical Chemistry and Chemical Physics were selected and awarded as follows.

Prizes were awarded to:

Shinjiro Takano, Assistant Professor, The University of Tokyo

“Hydride-doped Gold Superatoms: Syntheses, Structures, and Transformations”

Ichiro Tanabe, Assistant Professor, Osaka University

“Development of Electrochemical Attenuated Total Reflectance Far-ultraviolet (EC-ATR-FUV) Spectroscopy”

Kiyoshi Miyata, Assistant Professor, Kyushu University

“Direct Observation of Ultrafast Electron/Structural Dynamics of molecule-based semiconductors for optoelectronics”

Yuma Morimoto, Assistant Professor, Osaka University

“Small Molecular Activation by Late-transition-metal Complexes”

 

Congratulations to the winners.

 

 

 

 

 

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Outstanding Reviewers for Physical Chemistry Chemical Physics (PCCP) in 2019

We would like to highlight the Outstanding Reviewers for Physical Chemistry Chemical Physics (PCCP) in 2019, as selected by the editorial team, for their significant contribution to the journal. The reviewers have been chosen based on the number, timeliness and quality of the reports completed over the last 12 months.

We would like to say a big thank you to those individuals listed here as well as to all of the reviewers that have supported the journal. Each Outstanding Reviewer will receive a certificate to give recognition for their significant contribution.

Dr Anastasia Bochenkova, Moscow State University, ORCID: 0000-0003-4101-3564

Professor Lin Du, Shandong University, ORCID: 0000-0001-8208-0558

Dr Heike Fliegl, Karlsruher Institut für Technologie, ORCID: 0000-0002-7541-115X

Dr Siddharth Gautam, The Ohio State University, ORCID: 0000-0003-1443-5382

Dr Sorana Ionescu, University of Bucharest, ORCID: 0000-0001-8171-7588

Dr Ivan Ljubic, Rudjer Boskovic Institute, ORCID: 0000-0002-3395-7293

Dr Alessio Petrone, Universita degli Studi di Napoli Federico II Dipartimento di Scienze Chimiche, ORCID: 0000-0003-2232-9934

Dr Dennis Salahub, University of Calgary, ORCID: 0000-0002-9848-3762

Dr Martin Suhm, Georg-August-Universität Gottingen, ORCID: 0000-0001-8841-7705

Dr Minglei Sun, King Abdullah University of Science and Technology, ORCID: 0000-0001-5105-0065

Dr Kohei Tada, National Institute of Advanced Industrial Science and Technology, ORCID: 0000-0003-1150-8611

Dr Keisuke Takahashi, Hokkaido University, ORCID: 0000-0002-9328-1694

Professor C. Torres-Torres, Instituto Politécnico Nacional, ORCID: 0000-0001-9255-2416

Professor Bryan Wong, University of California Riverside, ORCID: 0000-0002-3477-8043

Dr Yang-Xin Yu, Tsinghua University, ORCID 0000-0002-7677-3427

We would also like to thank the PCCP board and the physical chemistry, chemical physics and biophysical chemistry community for their continued support of the journal, as authors, reviewers and readers.

 

If you would like to become a reviewer for our journal, just email us with details of your research interests and an up-to-date CV or résumé. You can find more details in our author and reviewer resource centre

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