Dr. Peichen Zhong is an Assistant Professor in the Department of Materials Science and Engineering at the National University of Singapore (NUS). He leads the Applied Machine Learning and Materials Modeling (AM³) Group, focused on advancing computational methods for clean energy technologies. His research integrates machine learning with atomistic simulations to tackle challenges in battery materials, disordered materials, and sustainable energy systems. Education: B.S. in Physics from University of Science and Technology of China (2018); Ph.D. in Materials Science from UC Berkeley (2023, advised by Prof. Gerbrand Ceder); Postdoctoral training at Lawrence Berkeley National Lab and BIDMaP, co-advised by Persson, Cheng, and Krishnapriyan. Research Interests: Computational modeling of battery cathodes/electrolytes, AI-driven interatomic potentials, statistical mechanics in disordered materials, and generative models for scientific discovery. Key areas include Li/Na-ion batteries, solid-state reactions, and sustainable energy materials. Awards: BIDMaP Emerging Scholar Fellowship (UC Berkeley CDSS, 202?), 2023 Rising Stars in Materials Science (CMU/MIT/Stanford). Labs/Teams: The AM³ Group at NUS MSE focuses on interdisciplinary research combining theory, computation, and AI4Science. Current openings include PhD students and postdoctoral researchers.
Raul Vicente Zafra is a Professor of Data Science at the University of Tartu, Faculty of Science and Technology, Institute of Computer Science, where he has been working since 2013. His research spans computational neuroscience, artificial intelligence, and data science, with a particular focus on bridging biological and artificial models of intelligence. Education: PhD in Physics (2001-2006), University of the Balearic Islands BSc in Physics (1997-2001) Professor Zafra's research interests center on computational neuroscience and artificial intelligence, with specific expertise in brain-computer interfaces, reinforcement learning, neural modeling, and explainable AI. His work bridges the gap between biological and artificial intelligence systems, exploring how neural principles can inform machine learning algorithms and vice versa. He has made significant contributions to understanding neural coherence, time interval learning in neural systems, and the application of information theory to brain-computer interfaces. His research often involves interdisciplinary collaboration between computer science, neuroscience, and medicine. Analysis of Zafra's recent publications reveals a strong focus on the intersection of artificial intelligence and neuroscience. His work spans explainable AI methods, brain-computer interfaces, reinforcement learning models that mimic cognitive processes, and neurophysiological studies of brain activity. A notable trend is his exploration of how biological principles of neural computation can inform and improve artificial intelligence systems, particularly in areas like time-based learning, consciousness modeling, and neural coherence. Scientific Awards: 2012: Attendee at the 62nd Lindau Nobel Laureate Meeting 2007: Quantum Electronics and Optics Division Prize of the European Physical Society for the best PhD Thesis in Applied Optics in Europe 2006: PhD Extraordinary Award of the Physics Department of the University of the Balearic Islands 2001: Physics Degree Extraordinary Award (First Class Honors, best GPA) 1997: Bronze Medal in the "8th Spanish Physics Olympiad" Professor Zafra has been principal investigator on numerous significant research projects including the Estonian Centre of Excellence in Artificial Intelligence, Cardiovascular Stress Impacts On Neuronal Function, and Bridging biological and artificial models of vision. His grant portfolio demonstrates strong funding support from the Estonian Research Council, European Commission, and other major funding bodies. He has supervised multiple PhD students and mentored early-career researchers in computational neuroscience and AI. His laboratory work focuses on developing computational models of neural systems and applying these insights to artificial intelligence. Current research directions include explainable AI methods, brain-computer interfaces, modeling of consciousness and cognitive processes, and the application of AI to healthcare challenges.
University of California , Santa Barbara (UCSB)United States
Chris G. Van de Walle is the Herbert Kroemer Distinguished Professor in the Department of Materials at the University of California, Santa Barbara's College of Engineering. As a member of the National Academy of Engineering and fellow of multiple prestigious scientific societies including the American Physical Society and Materials Research Society, he leads the Computational Materials Group which is part of UCSB's strong computational science cluster within the Materials Department. His research interests focus on novel electronic materials, particularly wide-band-gap semiconductors (III-V nitrides, II-VI compounds), transparent conductors, complex oxides, loss mechanisms in light emitters, two-dimensional conductors, quantum information science, and the physics and chemistry of hydrogen interactions with solids. His group uses first-principles computational techniques to study atomic and electronic structure of crystalline, polycrystalline and amorphous materials, interfaces, surfaces, defects, and heterojunctions. Analysis of his recent publications reveals a strong focus on semiconductor materials for quantum technologies, with particular emphasis on GaN, Ga 2 O 3 , and related compounds. His work combines computational materials science with applications in optoelectronics, quantum information, and energy technologies, demonstrating consistent innovation in understanding defects and their role in material properties. Major Awards and Recognitions: Aneesur Rahman Prize for Computational Physics (APS) Materials Theory Award (MRS) Vannevar Bush Faculty Fellowship (DoD) John Bardeen Award (TMS) Medard W. Welch Award (AVS) Highly Cited Researcher (Clarivate Analytics) Professor Van de Walle has mentored numerous successful researchers, including Dr. Fangzhou Zhao (Corbett Prize winner) and Dr. Mark Turiansky (APS Nicholas Metropolis Award recipient). His group maintains strong connections with the UCSB Quantum Foundry and the Solid State Lighting and Energy Electronics Center, demonstrating collaborative research efforts across multiple disciplines. The group actively investigates defects for quantum information science, loss mechanisms in light emitters, nitride semiconductors, halide perovskites, oxides, and hydrogen interactions with materials.
Michael McAlpine is a Professor in the Mechanical Engineering department at the University of Minnesota . He also holds affiliations with the Biomedical Engineering and Electrical and Computer Engineering departments. His research focuses on 3D printing functional materials & devices , Nanoscale inks , Biomedical devices , Bioelectronics , and Flexible Microsystems . Research Interests : 3D Printing, Biomedical Engineering, Nanotechnology, Flexible Electronics, Microfluidics Labs : ME 361/363 Contact : mcalpine@umn.edu , (612) 626-3303, ME 117 Recent Research Trends include 3D Printed Biomedical Devices , Flexible Electronics , and Bioprinting Applications . His work spans from Spinal Organoid Formation to Programmable Drug Release Capsules . Scientific Award : Circulation Research 2020 Best Manuscript Award
Dr. Adriana Bocchini is a Researcher at the University of Paderborn , affiliated with the Theoretical Materials Physics department and the Quantum Materials Modelling group. Her work focuses on computational modeling of materials, particularly crystal defects, surface adsorption, and electrochemical properties using advanced theoretical methods. Research Interests: Adriana's research spans Theoretical Materials Physics and Quantum Materials Modelling , with a focus on Defect modeling in ferroelectric materials Surface adsorption mechanisms Electronic structure calculations First-principles simulations Recent Publications: She has contributed to studies on radiation-induced defects in KTiOPO 4 , Mg doping effects in lithium niobate, phosphonic acid interactions with bismuth oxide, and electrochemical properties of doped RTP crystals, all leveraging computational approaches like Density Functional Theory (DFT). Labs & Teams: Adriana is actively involved in the Theoretical Materials Physics and Quantum Materials Modelling groups at the University of Paderborn, advancing computational studies in materials science.
Associate Professor Quek Su Ying is affiliated with the Department of Physics at the National University of Singapore (NUS) and serves as Assistant Dean (Special Duties). Her research focuses on theoretical and computational approaches to understanding the electronic, vibrational, and transport properties of emerging materials, particularly 2D and organic systems. Affiliations : Institute of High Performance Computing, Centre for Advanced 2D Materials, NUS Research Interests : First principles calculations (mean field and many-electron perturbation theory), interface science, electronic energy level alignment, and transport in emerging materials. Her work includes studies of exciton condensation, quantum emitters, and valleytronic control via magnetic fields. Article Trends : Recent publications highlight investigations into 2D materials, organic-inorganic interfaces, and quantum phenomena. Topics include exciton dynamics, defect engineering, charge density waves, and spin-dependent transport, employing advanced ab initio methods like GW theory. Scientific Awards : Singapore NRF Fellowship Advising & Collaborations : Her group develops state-of-the-art computational methods and collaborates with experimental teams. Notable affiliations include Google Scholar Profile and partnerships with institutions like the Institute of High Performance Computing. Labs & Teams : Associated with the Centre for Advanced 2D Materials at NUS, which supports interdisciplinary research on graphene and related 2D systems. Her work bridges theoretical modeling and experimental validation.
Dr. Christopher M. Wolverton is a Professor of Materials Science and Engineering at Northwestern University , where he leads the Wolverton Research Group . His work focuses on computational materials science with applications in energy sustainability , particularly in batteries , hydrogen storage , and thermoelectrics . PhD in Physics from University of California, Berkeley BS in Physics (summa cum laude) from University of Texas, Austin His research leverages first-principles quantum mechanical simulations and machine learning to enable virtual materials synthesis before laboratory testing. The group specializes in hybrid computational methods integrating Density Functional Theory (DFT) , Monte Carlo simulations , and phase-field microstructural models . The article portfolio shows leadership in energy storage materials , with recent work on data-driven nanoparticle facet control , mixed-anion semiconductors , and machine learning-accelerated discovery . Publications span top journals including Nature Energy , Nature Materials , and Science . 2006 Ford Motor Company Technical Achievement Award 2005 Ford Patent & Publication Awards 2003 Ford Environmental/Physical Sciences Recognition As advisor to PhD candidates Zhenpeng Yao , Shiqiang Hao , and Shane Patel , he fosters interdisciplinary research connecting materials informatics with experimental validation . The group maintains active collaborations with Argonne National Lab and MIT/Harvard teams.
Arunima Singh is an Assistant Professor in the Department of Physics at Arizona State University (ASU), with graduate faculty status in the Materials Science and Engineering Department. Her work focuses on computational materials discovery, leveraging first-principics simulations and data science to accelerate the design of materials for energy applications. She leads research at the Computational Materials Design Lab and co-leads a thrust at ULTRA, a DOE-Energy Frontier Research Center, and has received the 2023 Department of Energy Early Career Research Program Award. Ph.D., Cornell University (2014) B.Tech., Indian Institute of Technology Kharagpur (2009) Her research bridges materials science , surface science , and renewable energy , with a strong emphasis on 2D materials , nanostructures , and machine learning for materials design. She also explores electronic properties at material interfaces and phonon behavior at grain boundaries. The 2025–2023 articles highlight her expertise in heterostructures , wide bandgap materials , and data-driven discovery , with recurring themes in solar energy conversion , nanoengineering , and first-principles simulations . These works often involve machine learning and high-throughput workflows for materials optimization. Scientific Awards 2023 Department of Energy (DOE) Early Career Research Program Award She teaches courses such as Quantum Theory of Solids I , University Physics I: Mechanics , and research/dissertation sections (PHY 792, MSE 792, etc.). Her service includes expertise in computational modeling , solar materials , and nanoscience .
Professor Emilio Artacho is a faculty member in the Department of Physics at the University of Cambridge, based at the Cavendish Laboratory. He transitioned from the Department of Earth Sciences in 2011, where he was granted a Professorship in 2006. His research focuses on computational simulations of non-equilibrium processes in condensed matter, particularly using first-principles molecular dynamics and density-functional theory. He co-developed the SIESTA program for linear-scaling electronic structure calculations, widely utilized in computational materials science. Artacho’s work spans far-from-equilibrium phenomena in irradiated matter, multiferroics, nanoconfined water systems, and surface chemistry. His contributions include studies of electronic stopping power in materials, 2D electron gas formation at ferroelectric interfaces, and the structural dynamics of water under confinement. His academic roles include adjunct positions at Ikerbasque (Nanogune, Spain) and visiting professorships at institutions like the University of California, Berkeley, and École Normale Supérieure de Lyon. Research interests are anchored in theoretical condensed matter physics, with applications to nanomaterials, radiation effects, and interfacial phenomena. His computational methods bridge quantum mechanics and classical dynamics, enabling insights into complex systems like proton-irradiated solar cells and confined water films.
Gunnar Kusch is a Senior Research Associate at the Department of Materials Science & Metallurgy, University of Cambridge. His research focuses on defects in semiconductors, porous AlGaN materials, and advanced characterization techniques like cathodoluminescence (CL) and atom probe tomography (APT). He holds a PhD from the University of Strathclyde and leads projects on UV-B LED optimization, nanoscale defect behavior analysis, and semiconductor device design. His work bridges materials synthesis, characterization, and device performance, with applications in energy-efficient lighting and solar cell technology. Key research areas include: Defect engineering in III-nitride semiconductors Porous AlGaN templates for high-efficiency UV emitters Correlative microscopy techniques (CL, EBSD, APT) Composition-structure-property relationships in photovoltaic materials Notable contributions include developing CL-based methods for nanoscale defect analysis and demonstrating improved Cu(In,Ga)S₂ solar cell efficiencies through compositional engineering. His laboratory focuses on translating microscopic insights into macroscopic device improvements.
Ibo van de Poel is a Full Professor at Delft University of Technology , within the Faculty of Technology, Policy and Management , specifically in the Section Philosophy . He holds the prestigious Antoni van Leeuwenhoek professorship , awarded to excellent young researchers, and is a leading figure in Design for Values , engineering ethics , and technology as social experimentation . Education: Van de Poel studied Philosophy of Science, Technology and Society at the University of Twente , with a propaedeutic exam in Mechanical Engineering . He earned his PhD in Science and Technology Studies (STS) in 1998 from the University of Twente , under the supervision of Prof. Dr. A. Rip. Research Interests: His research spans three major themes: Design for Values : Investigating how moral values can be integrated into engineering design, including empirical studies on how engineers handle value conflicts. Moral Responsibility in R&D Networks : Exploring the "problem of many hands" in large-scale research and development projects, developing formalizations and empirical methods. Ethics of Emerging Technologies : Examining ethical issues in new technologies like nanotechnology and synthetic biology , with a focus on technology as social experimentation . Publications and Impact: Van de Poel has authored over 25 international peer-reviewed articles and 15 book contributions . He is co-editor of major works including the Handbook of Philosophy of Technology and the Engineering Sciences (Elsevier, 2009), Philosophy and Engineering (Springer, 2010), and Ethics, Engineering and Technology (Wiley-Blackwell, 2011). His recent work includes leading the VICI project "New Technologies as Social Experiments" , funded by NWO. Scientific Awards: Antoni van Leeuwenhoek Professorship (TU Delft) VICI Grant for "New Technologies as Social Experiments: Conditions for Morally Responsible Experimentation" Advising and Grants: Van de Poel has led and contributed to multiple high-impact projects, including: NWO Project on "Moral Responsibility in R&D Networks" (2007–2012) EU Project on ethical issues in synthetic biology (2009–2011) VICI Project on "New Technologies as Social Experiments" (ongoing) He has also supervised PhD students and contributed to educational innovations, including the development of the AGORA web-based program and the first Dutch textbook on ethics and technology . Labs and Teams: Van de Poel is an active member of 4TU.Ethics & Technology , a federation of Dutch technical universities focused on ethics and technology. He contributes to the Simon Stevin Series in the Ethics of Technology and participates in various reading groups and PhD communities within the network.
Prof. Annalisa Manera is a Full Professor at ETH Zurich's Department of Mechanical and Process Engineering since July 2021, specializing in nuclear systems and multiphase flows. Previously, she held a professorship at the University of Michigan's Nuclear Engineering Department from 2011 to 2021. Her research focuses on advanced experimental techniques for single-phase and multiphase flows, high-resolution CFD validation, and computational tools for nuclear systems. She co-directs the Experimental and Computational Multiphase Flow (ECMF) Lab and the High Resolution Imaging Lab. Education: M.Sc. in Nuclear Engineering (University of Pisa, summa cum laude) and Ph.D. in Nuclear Engineering (Delft University of Technology). Awards include the ANS Bal-Raj Sehgal Memorial Award (2022) and the US DOE CASL Director’s Award (2016), alongside being an American Nuclear Society Fellow. Her work bridges nuclear safety, thermal-hydraulics, and computational modeling, with contributions to polaron physics, electron-phonon interactions, and material simulations. Courses taught include Nuclear Energy Conversion and Beyond-Design-Basis Safety.
Asst. Prof. OU Pengfei is an Assistant Professor and NUS Presidential Young Professor in the Department of Chemistry at the National University of Singapore, Faculty of Science. He leads the AI for Chemistry (AI4Chem) research group, focusing on computational catalysis, machine learning, and materials science. Previously, he was a Research Associate at Northwestern University and a Postdoctoral Fellow at the University of Toronto under Prof. Edward H. Sargent, and earned his Ph.D. from McGill University. Education: Ph.D., McGill University, 2020 M.Eng., Central South University, 2015 B.Eng., Central South University, 2012 Research interests include catalyst design for electrochemical reactions using ab initio DFT, molecular dynamics simulations, and AI-driven methods. He develops dynamic simulations of chemical processes under reaction conditions and machine learning tools for accelerated catalyst discovery. His work addresses challenges in energy and environmental applications such as CO2 reduction and hydrogen evolution. Notable awards include the NUS Presidential Young Professorship (2024), Climate Positive Energy Postdoctoral Fellowship (2021), and Chinese Government Award for Outstanding Self-Financed Students Abroad (2020). Labs/Teams: The AI4Chem group integrates theory-guided and data-driven approaches to advance computational catalysis, with three core research directions: (1) reaction mechanism exploration and catalyst optimization, (2) dynamic structure-performance relationships under reaction conditions, and (3) machine learning algorithms for high-throughput screening.
Dr. Xiaofeng Qian is an Associate Professor in the Department of Materials Science & Engineering at Texas A&M University, with joint appointments in Physics and Astronomy, and Electrical & Computer Engineering. His research focuses on materials theory , quantum materials design , and high-throughput computational discovery , particularly for 2D materials and energy applications . Educational Background: Ph.D., Nuclear Science and Engineering, Massachusetts Institute of Technology (2008) B.S., Engineering Physics, Tsinghua University (2001) Research spans first-principles electronic structure methods , nonlinear optical responses , and multiscale modeling of electronic, thermal, and ionic transport. Key areas include quantum spin Hall effect , ferroelectric switching , and machine learning for materials prediction . Notable Awards: Dean of Engineering Excellence Award (2024) Engineering Genesis Multidisciplinary Award (2024) AZZ Faculty Fellow (2021) NSF CAREER Award (2018) Manson Benedict Fellowship (2006) Actively recruiting PhD, MS, and UG researchers with backgrounds in physics, materials science, or computational methods. Collaborates extensively on hybrid AI-materials projects and topological device concepts .
Olle Eriksson is a Professor in the Department of Physics and Astronomy at Uppsala University, specifically affiliated with the Materials Theory division. His research focuses on theoretical and computational approaches to understanding magnetic materials and their properties. His primary research interests include first principles calculations of bulk materials and surfaces, with particular emphasis on magnetism and chemical bonding. His methodological expertise spans full-potential implementations of density functional theory, dynamical mean-field theory, and self-interaction correction. He also conducts calculations of finite temperature magnetism using Monte Carlo simulations and atomistic spin-dynamics simulations, as well as investigations into lattice dynamics and finite temperature effects on phase stability. Professor Eriksson's recent work demonstrates a strong focus on magnetocaloric materials for magnetic refrigeration applications, two-dimensional magnetic materials including van der Waals magnets, topological magnetic textures such as skyrmions, and computational methods for improving density functional theory. His research has significant implications for energy-efficient cooling technologies, next-generation spintronic devices, and fundamental understanding of quantum magnetic phenomena. Materials Science : Magnetocaloric materials, battery materials, 2D materials Computational Physics : Density functional theory, Monte Carlo simulations, spin dynamics Magnetism : Topological textures, chiral magnets, ultrafast dynamics His extensive publication record shows consistent contributions to high-impact journals across physics and materials science, with a notable increase in interdisciplinary work connecting computational physics with materials design for energy applications.
