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Professor Yousung Jung joins the Editorial Board

26 Oct 2021

Welcome to Digital Discovery!

We are delighted to welcome Professor Yousung Jung, KAIST, South Korea, as a new member of the Editorial Board of Digital Discovery.

An image of Prof Yousung Jung

“Just as computational chemistry has emerged as a new branch of chemistry after the development of computers and algorithms to use them, digital chemistry dealing with data, machine learning, and automation may become a new discipline in 21st century chemistry.

I am delighted to be part of Digital Discovery which can play a central role in the upcoming advancement of that field.”

Yousung Jung is a Professor of Chemical and Biomolecular Engineering at KAIST. His research background and current interests involve quantum chemistry and machine learning to develop efficient methods for fast and accurate simulations of complex molecular and materials systems, and their applications towards the understanding of molecules and materials for new discovery. Some of his recent works include the use of data science and machine learning to understand the structure-property-synthesizability relations for molecules and materials, and using the obtained knowledge for inverse design. He received his PhD in Theoretical Chemistry from the University of California, Berkeley, with Martin Head-Gordon. After postdoctoral work at Caltech with Rudy Marcus, he joined the faculty at KAIST in 2009. He has received the following awards: the Hanseong Science Award from Hanseong Son Jae Han Foundation; the KAIST Technology Innovation Award; the Pole Medal by the Asia-Pacific Association of Theoretical and Computational Chemists; a Korean Chemical Society Young Physical Chemist Award, and a KCS-Wiley Young Chemist Award.

Read some of Yousung’s recent papers below.

Predicting potentially hazardous chemical reactions using an explainable neural network
Juhwan Kim, Geun Ho Gu, Juhwan Noh, Seongun Kim, Suji Gim, Jaesik Choi and Yousung Jung
Chem. Sci, 2021, 12, 11028–11037

Machine-enabled inverse design of inorganic solid materials: promises and challenges
Juhwan Noh, Geun Ho Gu, Sungwon Kim and Yousung Jung
Chem. Sci., 2020, 11, 4871–4881

Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning
Jidon Jang, Geun Ho Gu, Juhwan Noh, Juhwan Kim and Yousung Jung
J. Am. Chem. Soc.2020, 142, 18836–18843

Please join us in welcoming Professor Jung to Digital Discovery.

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Dr Anat Milo joins the Editorial Board

13 Oct 2021

Welcome to Digital Discovery!

We are delighted to welcome Dr Anat Milo, Ben-Gurion University of the Negev, Israel, as a new member of the Editorial Board of Digital Discovery.

“There remains little doubt that the path to a more efficient process for chemical discovery passes through organization, digitalization and curation of data and its broad distribution.

The cherry on top is that we also get to use this data to gain a better understanding of the natural world.”

Anat Milo received her BSc/BA in Chemistry and Humanities from the Hebrew University of Jerusalem in 2001, her MSc from UPMC Paris in 2004 with Berhold Hasenknopf, and her PhD from the Weizmann Institute of Science in 2011 with Ronny Neumann. Her postdoctoral studies at the University of Utah with Matthew Sigman focused on developing physical organic descriptors and data analysis approaches for chemical reactions. At the end of 2015 she returned to Israel to join the Department of Chemistry at Ben-Gurion University of the Negev, where her research group develops experimental, statistical, and computational strategies for identifying molecular design principles in catalysis with a particular focus on stabilizing and intercepting reactive intermediates by second sphere interactions.

Read some of Anat’s recent papers below.

Designing the Secondary Coordination Sphere in Small-Molecule Catalysis
Inbal L. Zak, Santosh C. Gadekar, Anat Milo
Synlett, 2021, 32, 329–336

Unravelling mechanistic features of organocatalysis with in situ modifications at the secondary sphere
Vasudevan Dhayalan, Santosh C. Gadekar, Zayed Alassad and Anat Milo
Nat. Chem., 2019, 11, 543–551

The Art of Organic Synthesis in the Age of Automation
Anat Milo
Isr. J. Chem., 2018, 58, 131–135

Please join us in welcoming Dr Milo to Digital Discovery.

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Professor Lilo D. Pozzo joins the Editorial Board

29 Sep 2021

Welcome to Digital Discovery!

We are delighted to welcome Professor Lilo D. Pozzo, University of Washington, USA, as a new member of the Editorial Board of Digital Discovery.

“We started experimenting with open-source instrumentation and high-throughput algorithms to eliminate bottlenecks in our experimental work.

This accelerated and has now taken a life of its own to integrate AI and data-driven automation to ‘close the loop’ and drive autonomous experimentation.”

Lilo D. Pozzo is the Boeing-Roundhill Professor of Chemical Engineering and interim chair of the Department of Materials Science and Engineering at the University of Washington in Seattle. Her research focuses on controlling and manipulating the structure of soft matter for applications in healthcare, alternative energy, chemical manufacturing and separations. Her group also focuses on developing and utilizing experimental high-throughput tools and techniques to accelerate deployment timelines for new materials, and she is an expert in the use of neutron and x-ray scattering techniques for the analysis of colloids and polymers. Professor Pozzo obtained her BS in Chemical Engineering from the University of Puerto Rico at Mayagüez in 2001 and her PhD in Chemical Engineering from Carnegie Mellon University in Pittsburgh PA in 2006. She also worked at the NIST Center for Neutron Research as a postdoctoral fellow, and has served at the University of Washington since 2007. She has also been recognized with the Early Career Award from the US Department of Energy and with the C3E Award for Women in Clean Energy.

Read some of Lilo’s recent papers below.

Contrast-Variation Time-Resolved Small-Angle Neutron Scattering Analysis of Oil-Exchange Kinetics Between Oil-in-Water Emulsions Stabilized by Anionic Surfactants
Yi-Ting Lee and Lilo D. Pozzo
Langmuir, 2019, 35, 15192–15203

On-Demand Sonochemical Synthesis of Ultrasmall and Magic-Size CdSe Quantum Dots in Single-Phase and Emulsion Systems
Ryan Kastilani, Brittany P. Bishop, Vincent C. Holmberg, and Lilo D. Pozzo
Langmuir, 2019, 35, 16583–16592

Assessment of molecular dynamics simulations for amorphous poly(3-hexylthiophene) using neutron and X-ray scattering experiments
Caitlyn M. Wolf, Kiran H. Kanekal, Yeneneh Y. Yimer, Madhusudan Tyagi, Souleymane Omar-Diallo,   Viktoria Pakhnyuk, Christine K. Luscombe, Jim Pfaendtner and Lilo D. Pozzo
Soft Matter, 2019, 15, 5067–5083

Please join us in welcoming Professor Pozzo to Digital Discovery.

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