Archive for February, 2023

MSDE Emerging investigator – Gary Koenig

Gary Koenig began an appointment as an Assistant Professor of Chemical Engineering at the University of Virginia in 2012, and was subsequently promoted to Associate Professor in 2018. In addition to teaching and professional service commitments, Gary is the principal investigator of a group which researches energy storage materials and systems. Gary completed a B.S. from The Ohio State University and then a Ph.D. from the University of Wisconsin-Madison, with both degrees in Chemical Engineering. Before starting at University of Virginia, Gary was a Postdoctoral Associate at Argonne National Laboratory. Gary has published over 50 research articles. His expertise span from probing fundamental materials properties to grid scale energy storage evaluation, and includes both experimental and simulation tools.

Find out more about Gary’s research on his webpage

Follow Gary on Twitter at @ChemEBattery

Read Gary Koenig’s Emerging Investigator article, ‘Improving high rate cycling limitations of thick sintered battery electrodes by mitigating molecular transport limitations through modifying electrode microstructure and electrolyte conductivity‘, DOI: 10.1039/D1ME00082A

1. How do you feel about MSDE as a place to publish research on this topic?

MSDE was a good fit for for this paper, given the breadth of the molecular systems audience and the applications/technology significance component of the journal scope, which fits well with the energy storage applications of our research.

2. What aspect of your work are you most excited about at the moment and what do you find most challenging about your research?

This work investigated an electrochemical system that has significant ion transport restrictions, and what is exciting is pushing the limits in such a system to understand how fast the overall electrochemical process can be driven. The most challenging aspect for this paper was identifying a suitable electrolyte to evaluate which improved the ion transport properties without causing other cell stability limitations.

3. In your opinion, what are the most important questions to be asked/answered in this field of research?

There are many in the broader field of battery research. Most specific to this research report is how to best optimize the trade-off between electrode designs that increase energy density while still maintaining reasonable charging times/rates. This ties in more broadly to other bigger challenges with regards to safety and reliability of battery cells.

 

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2021 MSDE Outstanding Early-Career Award Winner: Michele Sarazen

It is with our great pleasure to announce Prof. Michele Sarazen (Princeton University, USA) as the winner of the 2021 Molecular Systems Design & Engineering Outstanding Early-Career Paper Award.

This is in recognition of her leadership of the paper, ‘Alkylation of poly-substituted aromatics to probe effects of mesopores in hierarchical zeolites with differing frameworks and crystal sizes’, DOI: 10.1039/D1ME00062D

Check out this bespoke infographic summarising the paper

Please join us in congratulating Prof. Sarazen!

 

About the winner

Michele L. Sarazen is an Assistant Professor in the Department of Chemical and Biological Engineering at Princeton University. Her research group at Princeton couples synthetic, kinetic, and theoretical investigations of porous crystalline materials as catalysts and adsorbents for sustainable fuel and chemical production with an emphasis on reaction and deactivation mechanisms. She earned her BS in Chemical Engineering, summa cum laude, at the Pennsylvania State University and her PhD in Chemical Engineering from the University of California, Berkeley. She was also a postdoctoral fellow at the Georgia Institute of Technology. Her recognitions include the National Science Foundation Graduate Research Fellowship, Howard B. Wentz, Jr. Junior Faculty Award, National Academy of Engineering Frontiers of Engineering, The Catalysis Review Mover & Shaker, as well as a Division Director for the American Institute of Chemical Engineers and the recent Chair of the Catalysis Society of Metropolitan New York.

 

Check out our interview with Prof. Sarazen below:

Can you briefly summarise your paper?

This paper probes how the inherent diffusion constraints of varied zeolite architectures with differing crystal sizes impact the incorporation and functionality of auxiliary mesopores, to optimize the alkylation of poly-substituted aromatics. However, the fundamental insights into hierarchical zeolite reaction–diffusion–deactivation detailed here can be applied broadly to reactions of other bulky species, including biomass-derived oxygenates, for more atom-efficient chemical and fuel production.

What aspect of your work are you most excited about at the moment?

I enjoy the constant interplay between reaction and diffusion and how we can control the two to optimize selectivity for increasingly bulky reactants. Additionally, this work applies many of the fundamental pillars of chemical engineering combined with chemical and materials synthesis to meet sustainable fuel and product demands.

Where do you see the field of catalytic active site engineering in five years’ time?

Energy and manufacturing transformations that make use of environmentally friendly or waste materials will need to increase their efficiencies, which can be done through catalytic active site engineering that either makes processes more selective or have lower energy footprints. Additionally, making cognizant design decisions concerning catalyst synthesis protocols and reagents will continue to play a role.

How do you feel about Molecular Systems Design & Engineering as a place to publish research on this topic?

MSDE values work that employs combined experimental and computational approaches for rational design of materials and reactions. This work strives to systematically introduce auxiliary mesopores with optimized diffusion capabilities, which ultimately impact catalytic rates, selectivities, and lifetimes.

How do you like to spend your time when not doing research?

I enjoy hiking with my dog, Navier-Stokes as well as baking, though the latter sometimes feels too much like synthesis sometimes.

Can you share one piece of career-related advice for those beginning their research career?

Giving back through mentoring will pay dividends through research. Your students can only do their best work if they feel supported.

 

Read the paper for FREE until 31 March 2023

Alkylation of poly-substituted aromatics to probe effects of mesopores in hierarchical zeolites with differing frameworks and crystal sizes

Hayat I. Adawi, Florence O. Odigiea and Michele L. Sarazen

Mol. Syst. Des. Eng., 2021, 6, 903-917, DOI: 10.1039/D1ME00062D

 

About the award

The aim of the Molecular Systems Design & Engineering Outstanding Early-Career Paper Award is to recognise a researcher in the earlier stages of their research career for their leadership in reporting original research published in the journal.

The journal Editorial Board award this prize annually, selecting the paper which they find to demonstrate the highest quality of research, as well as importance to the advancement of the field of molecular engineering, out of all qualifying papers published in the journal each year.

 

Eligibility

In order to be eligible for this award, the candidate must:

  • Be listed as a corresponding author on the paper
  • Currently be an independent research leader
  • Have either a) received their PhD on or after 1st January of the year 12 years prior to the award year (2009 for prize year 2021) or b) spent no more than an equivalent amount of time in research when taking into account any career breaks.
  • Have a paper featured in the journal’s Emerging Investigator Series – further information about eligibility for the Emerging Investigator Series can be found here. The Editorial Office will consider applications to the Series on their own merit; please contact us if you are interested in being considered for the series or nominating an exceptional early-career colleague.
  • Not be a previous winner of this award

 

Selection Process

To choose the winner of the 2021 Molecular Systems Design & Engineering Outstanding Early-Career Paper Award, a shortlist of eligible articles that were published throughout the year were selected by the editorial office and then subsequently assessed by the journal’s Editorial Board. The winner was selected based upon the significance, impact and quality of the research.

 

Prize

The winner of the Molecular Systems Design & Engineering Outstanding Early-Career Paper Award will receive an engraved plaque, a bespoke infographic from Impact Science for the winning paper and £500 cash award that would be used for conference travel/attendance of their choice.

To have your paper considered for the 2023 Molecular Systems Design & Engineering Outstanding Early-Career Paper Award, indicate when prompted upon submission of your revised manuscript if a corresponding author of the paper fulfils the criteria to feature in the Emerging Investigator Series. If accepted, your paper will be added to the ongoing collection and will be considered for the award. Multiple eligible authors of a winning paper will share the prize fund equally. You can contact the editors at molecularengineering-rsc@rsc.org if you have any queries.

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MSDE Emerging Investigator- Michael A. Webb

Michael Webb is an Assistant Professor in the Chemical and Biological Engineering department at Princeton University, joining in 2020. He obtained a B.S. in Chemical Engineering from UC Berkeley in 2011 and his Ph.D in 2016, also in Chemical Engineering, for “Path-integral and Coarse-graining Strategies for Complex Molecular Phenomena.” Between 2016-2019, he performed postdoctoral research at the University of Chicago and Argonne National Laboratory on coarse-graining, enhanced sampling, and machine learning of polymeric materials. His group emphasizes computational approaches, including hierarchical simulation and machine learning, for understanding and designing polymeric systems for diverse applications. He is a recent recipient of the NSF CAREER award and a Howard B. Wentz Junior Faculty award at Princeton University.

Read Michael’s Emerging Investigator Series article, ‘Featurization Strategies for Polymer Sequence or Composition Design by Machine Learning’, DOI: 10.1039/D1ME00160D and check out his interview below

How do you feel about MSDE as a place to publish research on this topic?

MSDE was an appealing venue for us for a few different reasons. First, I appreciate the focus in scope at MSDE in that published articles need to specifically highlight a molecular design or optimisation strategy. Our work falls in the latter category, and our motivation for study is very much for the reason for enhancing the process of polymer sequence and/or composition design in the future. In addition, MSDE seems to welcome contributions at the interface of molecular science and machine learning, and so I thought the general readership would be good.

What aspect of your work are you most excited about at the moment and what do you find most challenging about your research?

I am particularly excited about designing triggered stimuli-response into polymers using tools from both molecular simulation and machine learning. The most pressing problem at the moment, in my view, is the inadequacy of underlying models of this behaviour and their chemical specificity. As a logistical challenge, I would say it is difficult to stay abreast of both relevant simulation and machine learning literature and effectively train my researchers to be competent and confident in both areas.

In your opinion, what are the most important questions to be asked/answered in this field of research?

I think we and others have been asking good questions in the field of polymer machine learning. What we need to do moving forward is address what our answers mean or how they need to change as we increase the complexity of our design tasks and the true real-world relevance of developed methods. There has been significant useful benchmarking and demonstrations for ‘model’ systems, but now we need to see how the rubber meets the road.

Can you share one piece of career-related advice or wisdom with other early career scientists?

Try to remember and reflect on why you are doing what you are doing, especially in times of high stress. This applies both for thinking about a specific research area but also more generally considering your career

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MSDE Emerging investigator – Jai Prakash

Dr. Jai Prakash is working as Assistant Professor in the Department of Chemistry, NIT Hamirpur, (India). Previously, he worked as ‘INSPIRE Faculty’ (one of the prestigious faculty award by Department of Science and Technology, Govt. of India) in the Department of Chemical Engineering at Indian Institute of Technology (IIT) Kanpur, India (2016-2018). His Ph. D (2012), carried out at and sponsored by IUAC (formerly, Nuclear Science Center), New Delhi, was awarded by CCS University, Meerut (India). He worked as a postdoctoral researcher at INRS-EMT, Quebec (Canada), Aix-Marseille University (France), Universite Libre de Bruselles (Belgium) and University of the Free State, (South Africa).

He has received several national and international scientific awards including DAAD Academic Award (2018), Merit Scholarship Award (ranked# 1) (2017) from Quebec Govt. (Canada), Promising Young Researcher Award (2016) from NRF (South Africa), Prestigious INSPIRE faculty award (2015-2016) and Young Scientist Fast Track (2012) award from DST (India), Guest scientist (2014) from NIMS (Japan), and Senior Research Fellow (2011) from CSIR (India). He has published more than 90 research articles including book/chapters in international scientific peer reviewed journals. Some selected publications in higher impact factor journals; J. Materials Chemistry C, ACS Appl. Materials Interface, Carbon, Inter. Reviews in Phys. Chem., Energy Storage Materials, Molecular System Design and Eng., Adv. Energy Materials etc. have gained attention worldwide. Recently, he has been listed among World’s Top 2% Scientists List created by Stanford University (2021& 2022). He is serving as “Associate Editor’ in Frontiers in Environmental Chemistry journal.

His major research fields are functional nanomaterials, surface science, ion beam modifications of nanomaterials etc. His highly interdisciplinary research includes synthesis/characterizations of plasmonic, polymers, metal-oxides semiconductors nanomaterials, their nanocomposites for sensing, solar cell, optical, photocatalysis, SERS related environmental and energy applications.

Read Jai Prakash’s Emerging Investigator article, ‘Design and engineering of graphene nanostructures as independent solar-driven photocatalysts for emerging applications in the field of energy and environment‘, DOI: 10.1039/D1ME00179E

1. How do you feel about MSDE as a place to publish research on this topic?

It is very exciting to publish research on molecular systems in MSDE because it is unique in this sense which gives a feeling of completeness on such topics. It’s a best platform to publish on molecular design and engineering for multifunctional applications as MSDE appreciates authors provides update on the topics to readers. I recommend the researchers to publish their innovative work on molecular systems to this journal because it’s an emerging field for futuristic device applications as well as more fundamental studies at molecular level.

2. What aspect of your work are you most excited about at the moment and what do you find most challenging about your research?

The graphene based nanomaterials have the potential to compete with metal or semiconductor-based photocatalysts. I believe that next generation of device fabrication would be based on graphene based nanostructured materials especially in the field of energy and environment because of their unique optoelectronic and surface properties. These are emerging 2D nanomaterials showing fascinating properties for multifunctional applications and gaining interest by the researchers from all domain of sciences including biomedical. The key challenge about graphene nanomaterials is to explore as a sole material for different applications.

3. In your opinion, what are the most important questions to be asked/answered in this field of research?

In my opinion, the most important question in research of graphene based nanomaterials is whether these can replace metal based catalysts/photocatalysts in the field of energy and environment.

 4. Can you share one piece of career-related advice or wisdom with other early career scientists?

I would suggest my early career scientists’ fellows to work seriously on your topic of research with an emphasis on both positive and negative results. Build networks within your research community and try to make collaboration with scientists around the globe to exchange your ideas for fruitful and meaningful results in that direction. It will not only promote your research activities but also provide confidence to do better in the next step.

Find out more about Jai Prakash’s research on his webpage

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