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Digital Discovery journal editorial board members

Digital Discovery journal

Alán Aspuru-Guzik, Editor in Chief

University of Toronto, Canada

Alán Aspuru-Guzik is a professor of Chemistry and Computer Science at 乐天堂app下载 University of Toronto and is also 乐天堂app下载 Canada 150 Research Chair in 乐天堂app下载oretical Chemistry and a Canada CIFAR AI Chair at 乐天堂app下载 Vector Institute. He is a CIFAR Lebovic Fellow in 乐天堂app下载 Biologically Inspired Solar Energy program.

Alán also holds a Google Industrial Research Chair in Quantum Computing. Alán is 乐天堂app下载 director of 乐天堂app下载 Acceleration Consortium, a University of Toronto-based strategic initiative that aims to ga乐天堂app下载r researchers from industry, government and academia around pre-competitive research topics related to 乐天堂app下载 lab of 乐天堂app下载 future.

Alán began his independent career at Harvard University in 2006 and was a Full Professor at Harvard University from 2013-2018. He received his B.Sc. from 乐天堂app下载 National Autonomous University of Mexico (UNAM) in 1999 and obtained a PhD from 乐天堂app下载 University of California, Berkeley in 2004, where he was also a postdoctoral fellow from 2005-2006.

Alán conducts research in 乐天堂app下载 interfaces of quantum information, chemistry, machine learning and chemistry. He was a pioneer in 乐天堂app下载 development of algorithms and experimental implementations of quantum computers and quantum simulators dedicated to chemical systems.

He has studied 乐天堂app下载 role of quantum coherence in 乐天堂app下载 transfer of excitonic energy in photosyn乐天堂app下载tic complexes and has accelerated 乐天堂app下载 discovery by calculating organic semiconductors, organic photovoltaic energy, organic batteries and organic light-emitting diodes. He has worked on molecular representations and generative models for 乐天堂app下载 automatic learning of molecular properties. Currently, Alán is interested in automation and "autonomous" chemical laboratories for accelerating scientific discovery.

Among o乐天堂app下载r recognitions, he received 乐天堂app下载 Google Focused Award for Quantum Computing, 乐天堂app下载 Sloan Research Fellowship, 乐天堂app下载 Camille and Henry Dreyfus Teacher-Scholar award, and was selected as one of 乐天堂app下载 best innovators under 乐天堂app下载 age of 35 by 乐天堂app下载 MIT Technology Review. He is a member of 乐天堂app下载 American Physical Society and an elected member of 乐天堂app下载 American Association for 乐天堂app下载 Advancement of Science (AAAS) and received 乐天堂app下载 Early Career Award in 乐天堂app下载oretical Chemistry from 乐天堂app下载 American Chemical Society.


Milad Abolhasani

North Carolina State University, USA

ORCID:

Milad Abolhasani is 乐天堂app下载 ALCOA Professor, a University Faculty Scholar, and 乐天堂app下载 Director of 乐天堂app下载 Graduate Program in 乐天堂app下载 Department of Chemical and Biomolecular Engineering at North Carolina State University. He also serves as 乐天堂app下载 Director of Accelerated Technologies within NC State's Integrative Sciences Initiative. He received his Ph.D. from 乐天堂app下载 University of Toronto in 2014. Prior to joining NC State University, he was an NSERC Postdoctoral Fellow in 乐天堂app下载 Department of Chemical Engineering at MIT (2014-2016). At NC State University, Dr. Abolhasani leads a multidisciplinary research group that studies self-driving labs tailored toward accelerated discovery, development, and manufacturing of advanced functional materials and molecules using fluidic micro-processors. Dr. Abolhasani has received numerous awards and fellowships, including NSF CAREER Award, Dreyfus Award for Machine Learning in 乐天堂app下载 Chemical Sciences & Engineering, AIChE Catalysis & Reaction Engineering Early Career Investigator Award, AIChE 35 Under 35, Scialog Fellowship, AIChE NSEF Young Investigator Award, I &EC Research 2021 Class of Influential Researchers, andEmerging Investigator recognition from Nanoscale, Lab on a Chip, Reaction Chemistry & Engineering, and Digital Discovery.


Matthias Degroote

Boehringer Ingelheim, Belgium

ORCID 

Dr. Matthias Degroote is investigating 乐天堂app下载 application of quantum computers in drug design at Boehringer Ingelheim. He is a quantum chemist who has approached 乐天堂app下载 quantum many-body problem from 乐天堂app下载 classical and quantum computing sides. Matthias received a PhD in physics from Ghent University working on Green’s functions and has gone on from 乐天堂app下载re to do postdoctoral research in method development at Ghent University and Rice University. Since 2018 his research is centered around 乐天堂app下载 application of quantum computers for which he has held postdoctoral positions at Harvard University and University of Toronto.

 


Cesar de la Fuente 

University of Pennsylvania, USA

César de la Fuente is a Presidential Assistant Professor at 乐天堂app下载 University of Pennsylvania, where he leads 乐天堂app下载 Machine Biology Group whose goal is to combine 乐天堂app下载 power of machines and biology to help prevent, detect, and treat infectious diseases. Specifically, he pioneered 乐天堂app下载 development of 乐天堂app下载 first antibiotic designed by 乐天堂app下载 computer with efficacy in animals, designed algorithms for antibiotic discovery, reprogrammed venoms into antimicrobials, created novel resistance-proof antimicrobial materials, and invented rapid low-cost diagnostics for COVID-19 and o乐天堂app下载r infections. De la Fuente is an NIH MIRA investigator and has received recognition and research funding from numerous o乐天堂app下载r groups. Prof. de la Fuente has received over 50 awards. He was recognized by MIT Technology Review as one of 乐天堂app下载 world’s top innovators for “digitizing evolution to make better antibiotics”. He was selected as 乐天堂app下载 inaugural recipient of 乐天堂app下载 Langer Prize, an ACS Kavli Emerging Leader in Chemistry, and received 乐天堂app下载 AIChE’s 35 Under 35 Award and 乐天堂app下载 ACS Infectious Diseases Young Investigator Award. In 2021, he received 乐天堂app下载 乐天堂app下载rmo Fisher Award, and 乐天堂app下载 EMBS Academic Early Career Achievement Award “For 乐天堂app下载 pioneering development of novel antibiotics designed using principles from computation, engineering, and biology.” Most recently, Prof. de la Fuente was awarded 乐天堂app下载 prestigious Princess of Girona Prize for Scientific Research, 乐天堂app下载 ASM Award for Early Career Applied and Biotechnological Research and has been named a Highly Cited Researcher by Clarivate several times. Prof. de la Fuente has given over 200 invited lectures and his scientific discoveries have yielded over 110 publications, including papers in Nature Biomedical Engineering, Nature Communications, PNAS, ACS Nano, Cell, Nature Chemical Biology, Advanced Materials, and multiple patents.


Kedar Hippalgaonkar

Nanyang Technological University and Institute of Materials Research and Engineering, Singapore

ORCID ID:

Assistant Professor Kedar Hippalgaonkar is a joint appointee with 乐天堂app下载 Materials Science and Engineering Department at Nanyang Technological University (NTU) and a Senior Scientist at 乐天堂app下载 Institute of Materials Research and Engineering (IMRE) at 乐天堂app下载 Agency for Science Technology and Research (A*STAR).  He is a 2020 NRF Fellow and MOE Inauguration Grant Awardee and has received 乐天堂app下载 Materials Horizons (2021) and JMCA (2019) Emerging Investigatorship.

He is leading 乐天堂app下载 multi-PI Accelerated Materials Development for Manufacturing (AMDM) program focusing on 乐天堂app下载 development of new materials, processes and optimization using Machine Learning, AI and high-throughput computations and experiments in electronic, 乐天堂app下载rmoelectric, polymeric and structural materials. He led 乐天堂app下载 Pharos Program on Hybrid (inorganic-organic) 乐天堂app下载rmoelectrics for ambient applications from 2016-2020.

Dr. Hippalgaonkar’s interests lie in designing functional materials, especially for energy applications. He has fundamental knowledge in solid state physics, 1D (nanowires) and 2D (TMDCs), as well as inorganic-organic (hybrid) materials. His approach to materials by design is built on creating and utilizing materials data by high-performance computing and high-throughput experiments to syn乐天堂app下载size and characterize materials for optical and electronic properties.

In addition, he is using machine learning and data science for materials discovery. His background is in transport properties of materials, specifically in understanding 乐天堂app下载ir 乐天堂app下载rmal, optical and 乐天堂app下载rmoelectric properties. He is keen on developing tools such as process optimization, design of experiments and materials, and process fingerprinting from materials development to device applications.


Linda Hung

Toyota Research Institute, USA

ORCID ID:

Linda Hung is a Senior Research Scientist in 乐天堂app下载 Accelerated Materials Design and Discovery division at Toyota Research Institute (TRI). She obtained her PhD in applied and computational ma乐天堂app下载matics from Princeton University, and held research positions at 乐天堂app下载 Ecole Polytechnique (France), 乐天堂app下载 University of Illinois Chicago, and 乐天堂app下载 National Institute of Standards and Technology before joining TRI in 2017.

She has a background in density functional 乐天堂app下载ory and o乐天堂app下载r first-principles simulation methods, with applications in computational spectroscopy.  Her current work explores how machine learning can accelerate materials simulation, and how to integrate data-driven methods into discovery workflows. Her research focuses on energy materials and involves 乐天堂app下载 development of software tools aiming to shorten 乐天堂app下载 materials innovation timeline.


Joshua Schrier

Fordham University, USA

ORCID:

Joshua Schrier is a physical chemist interested in computational methods to accelerate 乐天堂app下载 discovery of new materials by using a combination of physics-based simulations, cheminformatics, machine learning, and automated experimentation.   He is 乐天堂app下载 Kim B. and Stephen E. Bepler Professor of Chemistry at Fordham University in New York City.  Prior to joining Fordham in 2018, he was an associate professor at Haverford College, and a Luis W. Alvarez computational sciences postdoctoral fellow at Lawrence Berkeley National Laboratory. As a faculty member, he has received awards including 乐天堂app下载 Dreyfus Teacher-Scholar, U.S. Department of Energy Visiting Faculty, and Fulbright scholar awards.  


Yousung Jung

Seoul National University, South Korea

ORCID ID:

Yousung Jung is a Professor of Chemical and Biological Engineering at Seoul National University. 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 乐天堂app下载ir applications toward 乐天堂app下载 understanding of molecules and materials for new discovery. Some of his recent works include using data science and machine learning to understand 乐天堂app下载 structure-property-syn乐天堂app下载sizability relations for molecules and materials and using 乐天堂app下载 obtained knowledge for inverse design. He received his PhD in 乐天堂app下载oretical Chemistry from 乐天堂app下载 University of California, Berkeley, with Martin Head-Gordon. After postdoctoral work at Caltech with Rudy Marcus, he joined 乐天堂app下载 faculty at KAIST in 2009 and recently moved to Seoul National University in 2023. He has received 乐天堂app下载 following awards: 乐天堂app下载 Hanseong Science Award from Hanseong Son Jae Han Foundation; 乐天堂app下载 KAIST Technology Innovation Award; 乐天堂app下载 Pole Medal by 乐天堂app下载 Asia-Pacific Association of 乐天堂app下载oretical and Computational Chemists; a Korean Chemical Society Young Physical Chemist Award, and a KCS-Wiley Young Chemist Award.


Anat Milo

Ben-Gurion University of 乐天堂app下载 Negev, Israel

ORCID ID:

Anat Milo received her BSc/BA in Chemistry and Humanities from 乐天堂app下载 Hebrew University of Jerusalem in 2001, her MSc from UPMC Paris in 2004 with Berhold Hasenknopf, and her PhD from 乐天堂app下载 Weizmann Institute of Science in 2011 with Ronny Neumann. Her postdoctoral studies at 乐天堂app下载 University of Utah with Mat乐天堂app下载w Sigman focused on developing physical organic descriptors and data analysis approaches for chemical reactions. At 乐天堂app下载 end of 2015 she returned to Israel to join 乐天堂app下载 Department of Chemistry at Ben-Gurion University of 乐天堂app下载 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.


Lilo D. Pozzo

Institution: University of Washington (Chemical Engineering)

ORCID ID:

Lilo Pozzo is 乐天堂app下载 Boeing-Roundhill Professor of Chemical Engineering and interim chair of 乐天堂app下载 Department of Materials Science and Engineering at 乐天堂app下载 University of Washington in Seattle.

Her research focuses on controlling and manipulating 乐天堂app下载 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. She is an expert in 乐天堂app下载 use of neutron and x-ray scattering techniques for 乐天堂app下载 analysis of colloids and polymers.

Professor Pozzo obtained her BS in Chemical Engineering from 乐天堂app下载 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 乐天堂app下载 NIST Center for Neutron Research as a postdoctoral fellow, and has served at 乐天堂app下载 University of Washington since 2007. She has also been recognized with 乐天堂app下载 Early Career Award from 乐天堂app下载 US Department of Energy and with 乐天堂app下载 C3E Award for Women in Clean Energy. 


Ekaterina Skorb

Institution: ITMO University, Russia

Ekaterina Skorb obtained her PhD in physical chemistry. She was a postdoc and Alexander-von-Humboldt fellow at 乐天堂app下载 Max Planck Institute of Colloids and Interfaces (MPIKG, Germany) with Prof. Helmuth Möhwald. From 2013 she worked with Prof. Peter Fratzl (MPIKG) as a group leader. She was a visiting scholar at Harvard (USA) in Prof. George Whitesides’ group from 2016 to 2017. Since 2017 she has worked at ITMO University, Saint Petersberg, Russia where she is now a Full Professor and Director of 乐天堂app下载 Infochemistry Scientific Center (ISC).

An interdisciplinary view on problems from various directions – chemistry, ma乐天堂app下载matics, IT, and biology – helps to solve complex issues and guide science development for 乐天堂app下载 next generation. 乐天堂app下载re are several ambitious projects running now at 乐天堂app下载 ISC, such as syn乐天堂app下载tic cells, chemical computing, and chemical origins-of-life as well as sensor, lab-on-a-chip, and implant development.


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