جست‌وجوی استاد و پژوهشگر

Sheng Shenمشاهده پروفایل

استاد

• Nanophotonics
• Nanoscale Energy Transport and Conversion
• Advanced Manufacturing
• +۷ مورد دیگر

Sheng Shen is a Professor in the Mechanical Engineering Department at Carnegie Mellon University (CMU) , with courtesy appointments in the Departments of Electrical and Computer Engineering and Materials Science and Engineering . He earned his Ph.D. in Mechanical Engineering (Minor in Electrical Engineering) from Massachusetts Institute of Technology (MIT) , and his B.S. and M.S. from Huazhong University of Science and Technology in China. Prior to joining CMU in 2011, he conducted postdoctoral research at UC-Berkeley . Education: Ph.D., Mechanical Engineering, MIT (2010) B.S. & M.S., Power Engineering & Engineering Thermophysics, Huazhong University of Science and Technology (2000 & 2003) Research interests include nanophotonics , nanoscale energy transport and conversion , nanofabrication , and advanced manufacturing , with applications in thermal management , light sources and devices , thermal emission control , solar energy conversion , infrared sensing , and multifunctional materials . His work leverages interdisciplinary expertise in thermal and optical measurements , material synthesis , device fabrication , and theoretical modeling . Recent publications highlight advancements in infrared radiation control , thermal interface materials , metasurface engineering , and graphene-based nanosystems . His scientific awards include: NSF CAREER Award DARPA Director's Fellowship DARPA Young Faculty Award Elsevier/JQSRT Raymond Viskanta Award CMU Dean's Early Career Fellowship Philomathia Foundation Research Fellowship Hewlett-Packard Best Paper Award Best Paper Award, Julius Springer Forum Advising spans Ph.D. and postdoctoral researchers in nanoscale energy systems, with alumni contributing to solar energy conversion , infrared sensing , and flexible electronics . His lab receives funding from ARL, DARPA, DOE, DTRA, NASA, NSF, and ONR , and recently secured a DURIP award for instrumentation.

William Chuehمشاهده پروفایل

استاد

• Energy Storage
• Renewable Energy
• Materials for Carbon-Neutral Energy
• +۳ مورد دیگر

William Chueh is a Professor in the Departments of Materials Science and Engineering and Energy Science & Engineering at Stanford University. He serves as Director of the Precourt Institute for Energy and Faculty Director of the Energy Innovation and Emerging Technologies Program. His research focuses on redox-active materials for energy storage, conversion, and carbon-neutral energy cycles. Education: PhD, Materials Science, Caltech (2010) BS, Applied Physics, Caltech (2005) Research Interests: Energy storage and conversion systems (batteries, fuel cells, electrolyzers) Multi-scale electrochemical and chemical reaction dynamics Materials design rules for redox-active solids Thermodynamic frameworks for sustainable energy Publication Trends: His work spans fundamental materials synthesis, electrochemical characterization, and modeling of redox reactions. Key themes include solar thermochemical cycles, ceria-based systems for CO2/H2O conversion, and advanced battery technologies. Scientific Honors: Outstanding Young Investigator Award (MRS, 2018) Camille Dreyfus Teacher-Scholar Award (2016) Sloan Research Fellowship (2016) CAREER Award (NSF, 2015) Advising: He advises students in energy technologies, materials science, and electrochemistry, including doctoral and master’s candidates. Contact: wchueh@stanford.edu

• Sustainable Bioenergy
• Circular Economy
• Energy Conversion Systems
• +۴ مورد دیگر

Mika Järvinen serves as Associate Professor in the Department of Energy and Mechanical Engineering at Aalto University, leveraging fundamental sciences—physics, thermodynamics, chemistry, and numerical modeling—to address cross-sector energy challenges. His research spans sustainable bioenergy and inter-linked circular economy systems integrating energy, materials, and environmental considerations across biomass, pulp/paper, metallurgy, and waste-to-energy industries. His expertise centers on sustainable bioenergy and circular economy frameworks, utilizing numerical modeling to optimize combustion engineering and metallurgical processes. By maintaining diverse industrial engagement, he ensures research continuity during economic fluctuations while advancing black liquor spraying technologies and energy-material-environment synergies. This approach enables flexible, physics-based solutions for complex industrial energy conversion problems. Professor Järvinen's 2025 publications reveal a cohesive focus on renewable energy systems operating within planetary boundaries, spanning carbon capture (calcium looping), low-temperature heat engines, and comprehensive textbook development. His work integrates solar, wind, bioenergy, and storage technologies into holistic frameworks that balance technical innovation with ecological constraints, emphasizing system-level sustainability over isolated component optimization. His scientific recognition includes: Best Dissertation Award (2002) from Helsinki University of Technology's Department of Machine Technology for research on black liquor droplet conversion Resonate Award (2015) from Caltech University's Resnick Institute As lead of the Energy Conversion and Systems research group, he directs projects bridging fundamental modeling with industrial applications while developing educational resources for next-generation energy engineers. His laboratory work emphasizes experimental validation of numerical models across combustion, metallurgical, and biomass conversion processes.

Jennifer Wilcoxمشاهده پروفایل

استاد

• Carbon Management
• Carbon Capture and Storage
• Direct Air Capture
• +۶ مورد دیگر

Jennifer Wilcox is the Presidential Distinguished Professor of Chemical Engineering and Energy Policy at the University of Pennsylvania's School of Engineering and Applied Science. She holds the James H. Manning Chair and directs the Clean Energy Conversions Lab, which focuses on carbon management strategies to mitigate climate change. Wilcox also served as Principal Deputy Assistant Secretary of Fossil Energy and Carbon Management at the U.S. Department of Energy from January 2021. Her research spans carbon capture, utilization, and storage (CCUS), direct air capture (DAC), mineral carbonization, life cycle assessment, and techno-economic analysis of carbon management technologies. Wilcox's work examines both mitigation and adaptation strategies to minimize negative climate impacts associated with society's dependence on fossil fuels. She takes a multi-perspective approach that includes experimental work, materials characterization, geo-spatial analyses, systems modeling, and techno-economic analysis while considering environmental and social contexts. Wilcox's research has been featured in major publications including the first textbook on Carbon Capture and Storage, the California Getting to Neutral report, the CDR primer, Greenhouse Gas Removal Technologies, the State of CDR Volume 2, and the Roads to Removal report. Her work has received recognition including the DOE Secretary's Achievement Award for contributions to the Getting to Neutral report. Secretary's Achievement Award for work on the Getting to Neutral Report Principal Deputy Assistant Secretary of Fossil Energy and Carbon Management (2021) Author of the first textbook on Carbon Capture and Storage Lead contributor to the California Getting to Neutral report Co-author of the CDR primer with nearly 40 subject matter experts Wilcox mentors several PhD candidates and research associates including Maxwell Pisciotta, Shelvey Swett, Hélène Pilorgé, Shrey Patel, Aline Uwase, Katherine Vaz Gomes, and Abby Lunstrum. Her lab examines various carbon management strategies from technology development to deployment optimization, with a focus on maximizing climate change mitigation while minimizing adverse social and environmental impacts. The Clean Energy Conversions Lab tracks public funding for carbon management projects across the United States and analyzes lessons from recent legislation like the Bipartisan Infrastructure Law and Inflation Reduction Act to identify opportunities for carbon management.

Patrick Rinkeمشاهده پروفایل

استاد مدعو

• Theoretical Physics
• Material Science
• Computational Science
• +۱ مورد دیگر

Patrick Rinke serves as an Adjunct Professor in the Department of Applied Physics at Aalto University, Finland. His research bridges theoretical physics, materials science, and computational methodologies with a strong focus on machine learning applications. His computational work spans electronic structure theory, materials design, and atmospheric chemistry. Rinke's research integrates Bayesian optimization, active learning, and high-throughput computational screening to accelerate materials discovery, particularly in hybrid perovskites, catalysts, and biomaterials. Recent work demonstrates machine learning's transformative potential in predicting molecular properties, optimizing materials functionality, and solving complex physical chemistry problems. His scientific contributions have been recognized with multiple awards: Thesis Prize from the Institute of Physics (2003) DFG Research Scholarship (2007-2009) Outstanding Postdoctoral Achievement Award (2009) Outstanding Referee of Physical Review Letters (2014) August-Wilhelm Scheer Visiting Professorship (2017)

Gonzalo Guillén Gosálbezمشاهده پروفایل

استاد

• Process Systems Engineering
• Sustainable Chemistry
• Environmental Impact Assessment
• +۷ مورد دیگر

Prof. Dr. Gonzalo Guillén Gosálbez is a Full Professor at the Department of Chemistry and Applied Biosciences , ETH Zürich. He holds a PhD in Process Systems Engineering (UPC, 2005) and has held academic positions at Imperial College London (Reader), University of Manchester (Senior Lecturer), and Universitat Rovira i Virgili (Assistant/Associate Professor). His research focuses on Sustainable Chemical Processes , integrating life cycle assessment, optimization techniques, and planetary boundary analysis to evaluate and design low-carbon technologies. Current position: Full Professor, ETH Zürich (2019–present) Prior roles: Imperial College London (2016–2019), University of Manchester (2014–2016), URV Spain (2008–2014) Education: PhD (UPC, 2005), MEng/BEng (University of Murcia) His research explores CO2 valorization , green methanol synthesis , circular marine fuels , and planetary boundary compliance in energy and chemical systems. Recent work emphasizes machine learning for process modeling, single-atom catalysis , and decentralized ammonia production . Scientific contributions include 15+ peer-reviewed articles (2023–2025) in journals like Nature Chemical Engineering , ACS Sustainable Chemistry & Engineering , and Energy & Environmental Science . Key themes: Optimization of hybrid fossil/renewable carbon systems Environmental impacts of energy transitions Catalyst design for sustainable chemistry Life cycle assessment of emerging technologies Awarded UPC Top Doctoral Student Award and Top National Student Award , he combines process systems engineering with sustainability metrics to address global challenges in chemical and energy systems.

David Ericksonمشاهده پروفایل

استاد

• Global Health Technology
• Medical Diagnostics
• Microfluidics
• +۵ مورد دیگر

David Erickson is the SC Thomas Sze Director and Sibley College Professor at Cornell University's Sibley School of Mechanical and Aerospace Engineering. He also holds a joint professorship in the Division of Nutritional Sciences. His research focuses on global health technologies, medical diagnostics, microfluidics, photonics, nanotechnology, and energy systems. He previously served as Associate Dean of Engineering for Research and Graduate Programs. Erickson leads the NIH-funded PORTENT Center for Point-of-Care Technologies in Global Health and has co-founded companies like Dimensional Energy and VitaScan to commercialize diagnostic and energy technologies. Education: B.Sc., Mechanical Engineering, University of Alberta (1999) M.A.Sc., Mechanical Engineering, University of Toronto (2001) Ph.D., Mechanical Engineering, University of Toronto (2004) Postdoctoral Scholar, Electrical Engineering, California Institute of Technology (2005) Research Interests: Erickson’s work spans global health diagnostics , nanobio applications , and clean energy innovation . He develops portable medical devices for low-resource settings, including smartphone-integrated diagnostic tools for malaria, iron deficiency, and cancer. His lab also pioneers photothermal reactors for CO2 conversion into sustainable fuels. Key areas include: Point-of-care testing for infectious diseases and nutritional deficiencies Nanofluidic and optofluidic technologies for biomolecular analysis Solar-driven energy systems for carbon-neutral fuels Awards: Presidential Early Career Award for Scientists and Engineers (2011) Fellowships from the Optical Society, ASME, and Canadian Academy of Engineering Carbon X-Prize Finalist (2019) for Dimensional Energy’s CO2-to-fuel technology Grants & Industry Collaboration: Erickson’s research is funded by NIH, NSF, ARPA-E, DOE, and USAID. His lab’s innovations have spun off start-ups addressing global health and energy challenges. Notable projects include: - Portable cancer diagnostics in sub-Saharan Africa using mobile phone-based systems - Solar-powered CO2 conversion reactors tested in Wyoming and Arizona Labs & Teams: The Erickson Lab collaborates with the Cornell Atkinson Center for Sustainability and the McGovern Center for Entrepreneurship. Key initiatives include the PORTENT Center and the Dimensional Energy CO2-to-fuel project.

Michael Baldeaمشاهده پروفایل

دانشیار

• Process Systems Engineering
• Energy Systems
• Nonlinear Optimization
• +۳ مورد دیگر

Michael Baldea is an Associate Professor in the Department of Chemical Engineering at the University of Texas at Austin . He holds a Ph.D. in Chemical Engineering from the University of Minnesota (2006), with prior degrees from 'Babeş-Bolyai' University in Romania (M.Sc. 2001, Diploma 2000). His research group develops theoretical and computational methods for Process and Energy Systems Engineering , focusing on integrated decision-making, performance optimization, and process intensification with industrial validation. Education: Ph.D., Chemical Engineering, University of Minnesota (2006) M.Sc., Interface Process Engineering, 'Babeş-Bolyai' University (2001) Diploma, Chemical Engineering, 'Babeş-Bolyai' University (2000) Research Thrusts: Integrated decision-making in chemical/energy supply chains Process performance monitoring and optimization Process integration and intensification Key applications include grid-responsive chemical plants, intensified distillation/column designs, and renewable energy integration for building systems. Scientific Awards: Frank A. Liddell, Jr. Fellowship NSF CAREER Award (2015-2020) Moncrief Grand Challenges Faculty Award (2014) AIChE Outstanding Young Researcher Award (2017) Implementation : His group has translated research into commercial tools through partnerships with industrial test beds and is working to integrate methods into commercial simulators. They explore predictive approaches for building energy management and strategic capital investment analysis in next-generation energy systems.

Hugo de Lasaمشاهده پروفایل

استاد

• Catalysis
• Photocatalysis
• Chemical Reactor Engineering
• +۵ مورد دیگر

Hugo de Lasa is a Full Professor at the Department of Chemical and Biochemical Engineering, Faculty of Engineering, University of Western Ontario. He holds a Bachelor in Chemical Engineering (1968) from Universidad Nacional del Sur, Argentina, and a Doctoral degree (1971) from Université de Nancy, France. Research Focus: Catalysis, Photocatalysis, Chemical Reactor Engineering, Fluidization, Biomass Gasification Awards: Research Excellence Prize (1998), Fellow of the Chemical Institute of Canada (2000), Medal of Research and Development (2000), Doctor Honoris Causa (2004, 2018) His work spans chemical reactor design , photocatalytic hydrogen production , and fluidized bed technologies . Recent publications highlight machine learning applications in chemical equilibrium modeling and CO2 capture using microalgae. He founded the Chemical Reactor Engineering Centre (CREC) and Recat Technologies Inc. , a university spin-off commercializing reactor innovations. Awards include the Vanguard Award (2019) and Commemorative Issue in Catalysts Journal (2020). His research has generated 389 peer-reviewed publications , 14 patents , and over 10,000 citations .

Yao Yangمشاهده پروفایل

استادیار

• Electrochemistry
• Materials Science
• Energy Materials
• +۳ مورد دیگر

Yao Yang is an Assistant Professor in the Department of Chemistry and Chemical Biology at Cornell University's College of Arts and Sciences. His research focuses on developing multimodal operando electron microscopy and synchrotron X-ray methods to probe electrochemical dynamics at solid-liquid interfaces for energy materials. PhD, Cornell University (2021) Miller Postdoctoral Fellow, UC Berkeley (2021-2024) Research interests span fundamental electrochemistry and energy material interfaces, particularly CO2 reduction, clean H2 production, and rechargeable batteries. The Yang group specializes in operando electrochemical liquid-cell scanning transmission electron microscopy (EC-STEM) and correlative synchrotron X-ray methods at Cornell Center for Materials Research (CCMR) and Cornell High Energy Synchrotron Source (CHESS). Recent publications highlight atomic-scale imaging of catalyst dynamics, Tafel slope analysis, and epitaxial growth techniques for enhanced electrocatalysts. Articles demonstrate interdisciplinary approaches combining electrochemistry, nanoscience, and advanced characterization. Scientific Awards: 2025 ACS Materials and Interfaces Outstanding Presentations by Young Investigators Award 2024 Journal of Materials Research Distinguished Invited Speaker Miller Postdoctoral Fellowship (2021-2024) 2023 Best Early Career Presentation at MRS Spring 2022 ACS AC/DC Rising Stars in Analytical Chemistry Contact: yaoyang@cornell.edu

• Microbiology
• Biochemistry
• Synthetic and systems biology
• +۸ مورد دیگر

Tanja Narancic is an Assistant Professor at the School of Biomolecular and Biomedical Science at University College Dublin (UCD). She is also an academic collaborator at the Bioeconomy Research Centre BiOrbic, where she coordinates multiple research projects among PIs, PostDocs, PhD students, and designs projects proposed by industrial partners. Dr. Narancic earned her PhD in Applied Microbiology from the University of Belgrade, Serbia in 2012, followed by postdoctoral research at the Institute of Molecular Genetics and Genetic Engineering in Belgrade. In 2013, she joined University College Dublin as a Postdoctoral Research Fellow under Prof. Kevin O'Connor, where she investigated microbial metabolic pathways using proteomics, metabolomics, and synthetic biology tools as part of FP7 and H2020 projects. She became a Research Fellow at BiOrbic in 2019 before advancing to her current position as Assistant Professor. Her research focuses on elucidating bacterial metabolism and leveraging synthetic biology tools to exploit bacteria for producing high-value products. Key research areas include: Proteomics, Metabolomics, and Transcriptomics for microbial pathway analysis Metabolic engineering for bioproduction Biocatalysis and enzyme optimization Protein engineering and purification Polyhydroxyalkanoate (PHA) production from waste streams Plastic upcycling and biodegradation technologies Dr. Narancic's publication record demonstrates a strong focus on converting plastic waste into valuable biodegradable materials through innovative biotechnological approaches. Her recent work has centered on developing microbial systems for upcycling polyethylene terephthalate (PET), polyolefins, and other recalcitrant plastics into polyhydroxyalkanoates (PHAs) and other high-value products. She has made significant contributions to understanding the metabolic pathways involved in plastic monomer conversion and has developed engineered strains with enhanced capabilities for plastic upcycling. As a principal investigator, Dr. Narancic leads multiple significant research projects including the Ad Astra Studentship (2023-2028), the UPLIFT project on sustainable plastics for food packaging (2021-2025), and the PROMOFER project (2024-2028) on optimizing PHB production. She also serves as a reviewer for numerous prestigious journals including Enzyme and Microbial Technology, Journal of Applied Microbiology, and Microbial Biotechnology. Her teaching portfolio includes coordination of multiple modules such as Bioprocessing, Metabolism and Disease, and SynBio for Bioeconomy, demonstrating her commitment to educating the next generation of scientists in both fundamental and applied aspects of biomolecular science.

Taner Akbayمشاهده پروفایل

استاد

• Materials Engineering
• Metallurgical Engineering
• Physical Metallurgy
• +۶ مورد دیگر

Prof. Dr. Taner Akbay is a faculty member at Yeditepe University, Faculty of Engineering , Department of Materials Science and Nanotechnology Engineering. He has held academic positions at institutions including Kyushu University, Oita University, and Imperial College London. Education: PhD in Materials Engineering (1993, Imperial College London); Master’s (1989) and Bachelor’s (1986) degrees from Middle East Technical University. His research spans Materials Engineering , Metallurgy , and Solid Oxide Fuel Cells (SOFCs) , with a focus on oxide ion conductivity, laser surface treatment, and phase transformations. Recent work explores photocatalysis , anion intercalation , and CO2 reduction using computational and experimental approaches. Key article trends include SOFC optimization (2004–2009), strain effects on catalysts (2015–2020), and dual-carbon battery technology (2016–2020). His work bridges fundamental metallurgy and advanced energy materials . Scientific Awards: Postdoctoral Research Sponsorship Award (EPSRC, UK) JSPS Fellowship (Japan) Daiwa Adrian Prize (2016, UK) PhD Studentship at Imperial College (European Commission) He has supervised multiple PhD and Master’s theses, including projects on dual-carbon batteries , microwave absorption nanocomposites , and rare earth recovery . Administrative roles include Head of Department (2020–2021). Non-University Experience: Worked with Mitsubishi Materials Corporation (2001), Çolakoğlu Metalurji (2010), and National Research Council Canada (2009).

Peter Strasserمشاهده پروفایل

استاد

• Electrochemistry
• CO2 Electroreduction
• Electrocatalysis
• +۵ مورد دیگر

Peter Strasser is a Full Professor of Chemistry and Chemical Engineering at the Technical University Berlin, Germany. He holds a Diplom (MSc) in Physical Chemistry from Tübingen University (1995) and a PhD from the Fritz-Haber-Institute of the Max-Planck-Society (1999), supervised by Prof. Gerhard Ertl. His research focuses on electrocatalysis, CO₂ electroreduction, and materials science for energy storage/conversion. He has held roles at the University of Houston (2004–2007) and Symyx Technologies (2000–2004). Education : Tübingen University (1988–1995), Stanford University (1991), Università di Pisa (1992) Affiliations : German Chemical Society (GDCH) leadership roles, Electrochemical Society (ECS) committee memberships Research interests include structure-function relations in electrocatalysts, electrochemical oxygen evolution/reduction reactions, and in-situ spectroscopic techniques. He has organized major conferences such as the “Electrochemistry 2022” meeting and co-chairs symposia on fuel cells and electrolyzers. His entrepreneurial activities include mentoring startups like DexLeChem GmbH and LiquidLoop GmbH. Awards : Carl Wagner Memorial Award (2023), Faraday Medal (2021), Otto-Hahn Medal (2000) Grants/Advising : Extensive funding and mentorship in energy materials research He leads the Technische Chemie division at TU Berlin and collaborates internationally, including guest professorships in China. His work bridges fundamental electrochemistry with industrial applications in renewable energy systems.

• Heterogeneous Catalysis
• Nanomaterials
• In Situ Spectroscopic Techniques
• +۷ مورد دیگر

Dr. Simon Beaumont is an Associate Professor in the Department of Chemistry at Durham University , with additional responsibilities as Associate Dean (PGR) in the Faculty of Science. His research program integrates heterogeneous catalysis , nanomaterials , and in situ spectroscopic techniques to develop sustainable chemical processes. BA & MSci Natural Sciences, University of Cambridge (2003-2007) PhD in Heterogeneous Catalysis, University of Cambridge (2010) Postdoctoral Fellowship at UC Berkeley (2010-2012) Research foci include mechanistic studies of catalytic processes, nanoparticle synthesis , and in situ characterization via X-ray absorption (NEXAFS), DRIFTS, and Raman. His work addresses challenges in CO2 hydrogenation , biomass conversion , and environmental remediation , supported by national/EU/industrial funding. Recent publications highlight trends in selective hydrogenation (furfural), multi-functional catalysts (acid-base systems), and nanoparticle stability under reactive conditions. All studies emphasize molecular-level understanding for practical catalyst design. Scientific awards include Leverhulme Trust and Addison Wheeler fellowships. Teaching portfolio spans first-year laboratories , organic chemistry tutorials , and advanced catalysis lectures . Supervision of five research postgraduates and leadership of industry-funded projects further demonstrate his academic impact.

Samir H. Mushrifمشاهده پروفایل

استاد

• Computational Catalysis
• Molecular Modeling
• Reaction Engineering
• +۷ مورد دیگر

Dr. Samir H. Mushrif is a Professor in the Department of Chemical and Materials Engineering at the University of Alberta . Prior to this role, he served as faculty at the School of Chemical and Biomedical Engineering at Nanyang Technological University (NTU), Singapore . He holds a PhD in Chemical Engineering from McGill University and completed postdoctoral research at the University of Delaware, USA . Education : PhD (Chemical Engineering, McGill University), Postdoc (University of Delaware) His research focuses on computational catalysis , molecular modeling , and reaction engineering for biomass conversion and CO2 reduction . He develops novel catalysts, solvents, and reactor systems using integrated quantum mechanical and classical molecular simulations , synergized with experimental data to enable sustainable energy and chemical production . Recent publications highlight trends in condensed phase chemistry for biomass reactions, machine learning applications in solvent configuration prediction, and mechanistic studies of lignin-carbohydrate complex deconstruction. His work bridges methane activation on metal oxides, hydrodeoxygenation of bio-oil compounds, and polymerization pathways in lignin structures. Scientific Awards include: NSERC Doctoral and Post-doctoral Fellowships Discovery International Award 2017 (Australian Research Council) NANYANG EDUCATION AWARD 2016 (Singapore) SCBE Teaching Excellence Awards (Silver 2015, Gold 2016) Bharat Gaurav (Pride of India) Award 2014 Dr. Mushrif's NSERC Discovery Grant (2018), CFI John R. Evans Leaders Fund Grant (2022), and AcRF Tier-2 Grant (Singapore, 2015) have advanced his work. Current PhD and Master's students include José Carlos Velasco Calderón , Arul Mozhi Devan Padmanathan , and Sagar Bathla , among others. The CARES Lab (Catalysis Research for Sustainability) under his leadership combines ab initio molecular dynamics , machine learning potentials , and Density Functional Theory to design materials for renewable energy . Collaborations span institutions in France , Canada , India , and the UK .