Steven A. Corcelli is a Professor and Interim Dean of the College of Science at the University of Notre Dame, with a research focus on Theoretical Chemistry and Molecular Dynamics Simulations . His work bridges Physical Chemistry and Biochemistry , targeting Energy Applications and Biomolecular Binding Mechanisms . He leads the Computational Molecular Science & Engineering Laboratory (CoMSEL). Ph.D., Chemistry, Yale University (2001) Sc.B., Chemistry, Brown University (1997) Research interests span ionic liquids for Carbon Capture , aqueous electrolytes in battery technologies , and molecular binding processes in immunology and DNA interactions . His group employs GPU-accelerated simulations and weighted ensemble methods to uncover structural and dynamic motifs. Recent publications highlight trends in vibrational spectroscopy , TCR-MHC binding , and CO2 solvation mechanisms . Awards include the Thomas P. Madden Award (2020) , ACS Fellowship (2016) , and NSF CAREER Award (2009) . Staff: Erin Brossard (Ph.D.), Nell Karpinski, Shuang Wu, Noah Vasconez, Kaitlyn Handy, Isabel Thompson
University of North Carolina at Chapel HillUnited States
Dr. Rebecca Berlow is an Assistant Professor in the Department of Biochemistry and Biophysics at the UNC School of Medicine , University of North Carolina at Chapel Hill. Holding a PhD from Yale University, her research focuses on intrinsically disordered proteins , protein dynamics and allostery , and NMR spectroscopy to study disease-associated macromolecules. PhD – Yale University Affiliation: UNC School of Medicine, University of North Carolina at Chapel Hill Research Interests include understanding how protein conformational changes and dynamic behavior mediate stress response pathways. The lab employs interdisciplinary approaches combining biophysics , structural biology , and complementary biochemical techniques to identify novel therapeutic strategies for diseases linked to dynamic macromolecular dysfunction. Publication Trends across 2007–2024 highlight consistent focus on protein dynamics , allosteric regulation , and biophysical characterization of disordered systems. Key topics include multivalency , redox-dependent structural changes , and therapeutic targeting of dynamic protein interactions. Training & Environment : Lab members engage in collaborative research across biophysical , structural , and chemical disciplines , with emphasis on professional development, conference participation, and inclusive scientific training.
Professor Manolis Gavaises is a leading academic in the field of mechanical engineering and computational fluid dynamics at City St George's, University of London, where he holds the position of Professor in the School of Engineering and Mathematical Sciences. He earned his PhD from Imperial College London and has been a faculty member since 2001, progressing to full Professor in 2009. His research is centered on advanced modeling of multi-phase flows, cavitation, and fuel injection systems, with extensive collaborations across Europe and industry partners such as Delphi, Caterpillar, and BP. Education: DIC, Mechanical Engineering, Computational Fluid Dynamics, Imperial College London, 1997 PhD, Mechanical Engineering, Computational Fluid Dynamics, Imperial College London, 1997 Diploma (5 years), Mechanical Engineering, National Technical University of Athens, 1992 His research interests span computational fluid dynamics, cavitation, fuel injection, atomization, high-pressure and supercritical flows, and alternative fuels . He has developed advanced numerical models and experimental techniques, including X-ray phase contrast imaging and high-pressure test rigs. His work integrates fundamental DNS and LES simulations with industrial applications in automotive, marine, aerospace, and medical devices such as heart valves. The recent publications reflect a strong trend toward real-fluid thermodynamic modeling (e.g., PC-SAFT), multi-component fuel behavior, cavitation erosion, and advanced diagnostics . His research increasingly incorporates machine learning and high-fidelity imaging to understand complex flow phenomena across energy, transportation, and biomedical domains. Scientific Awards and Recognitions: Richard Way Prize (1998) Arch T. Collwell Merit Award (1998) Best Oral Paper, SAE World Congress (2006) PE Publication Award, IMechE (2007) Best Presentation Award, Engine Combustion Processes (2009) Fellow, IMechE (2013) Fellow, IMA (2015) As a dedicated mentor, Professor Gavaises has supervised 13 PhDs to completion and currently guides 23 doctoral students. He has secured over €16 million in EU and UK funding, including multiple Horizon 2020 Marie Skłodowska-Curie ITN projects (CAFÉ, HAOS, IPPAD), which support 46 early-career researchers globally. He has created academic opportunities for post-docs and junior faculty, significantly advancing the research profile of his institution. He leads the International Institute of Cavitation Research (IICR), co-founded in 2011 with partners from Loughborough University, TU Delft, and Imperial College, supported by The Lloyd’s Register Foundation. His lab maintains strong experimental capabilities, including a 2000bar pressure flow rig with micro-transparent nozzles and collaborations with Argonne National Laboratory for X-ray imaging.
Simon Webb is a Professor of Organic Chemistry at the University of Manchester, leading the Organic Chemistry Group within the School of Chemistry. His research focuses on molecular self-assembly to create biomimetic materials, with key themes including membrane recognition, synthetic ion channels, and magnetically responsive biomaterials. He earned his PhD from the University of Cambridge and has held academic positions since 2002. His work bridges organic chemistry, nanotechnology, and biomedicine, contributing to sustainable development through advanced materials in medicine and biotechnology. Education: B.Sc./M.Sc. Chemistry, Auckland University (1990–1994) PhD, University of Cambridge (1994–1997) Research Interests: Membrane communication via synthetic ion channels Magnetic nanoparticle-vesicle assemblies for drug delivery Peptide-based foldamers for signal transduction His lab develops materials that mimic biological membranes, such as magnetically triggered drug delivery systems (MNPVs) and foldamer-based sensors. Collaborations span advanced materials, biotechnology, and medical research. Current projects include exploring cooperativity in multivalent ligand binding and lipid raft dynamics. Publications highlight innovations in foldamer design, supramolecular arrays, and enzyme-responsive materials. His work is supported by grants and contributes to UN Sustainable Development Goals in health and advanced materials.
Dr. Edward L. Quitevis is a Professor in the Department of Chemistry and Biochemistry at Texas Tech University, holding joint appointments in Physics. He earned his Ph.D. from Harvard University (1981) and completed postdoctoral research at the University of Toronto (1981-1984). His research focuses on the dynamics of complex fluids, particularly ionic liquids and supercooled liquids, using advanced techniques like optical heterodyne-detected Raman-induced Kerr effect spectroscopy (OHD-RIKES) and fluorescence recovery after photobleaching (FRAP). Key interests include nanostructural organization in ionic liquids, intermolecular dynamics, and the glass transition phenomenon in supercooled systems. Current research themes include understanding the relationship between nanostructure and dynamics in ionic liquids, studying ultraslow translational/rotational diffusion near the glass transition, and exploring applications of ionic liquids in materials science. His group has developed novel insights into the role of cation-anion interactions and nanoscale segregation in these systems. Dr. Quitevis collaborates widely, with publications in top journals like Physical Chemistry Chemical Physics and Journal of Chemical Physics . Students advised include Jagdeep Kaur, Dujuan Meng, Mahesh Thakurathi, and Sophia Sagala. His lab focuses on experimental and theoretical approaches to probe liquid-state dynamics, with recent work on cellulose dissolution, graphene exfoliation in ionic liquids, and lubrication applications.
Neil Champness is the Norman Haworth Professor of Chemistry at the University of Birmingham. He holds a prestigious academic position following roles at the University of Nottingham, including Professor of Chemical Nanoscience (2004-2020). His research focuses on supramolecular chemistry, crystal engineering, and metal-organic frameworks (MOFs). Champness leads a group pioneering studies on molecular self-assembly, surface chemistry, and functional materials. Education & Career - Began academic career with Teaching Fellowships at the University of Nottingham (1995) and Southampton (1994). - Became Lecturer in Inorganic Chemistry at Nottingham (1998), progressing to Reader (2003) and full Professor (2004). - Currently heads the Champness Group at Birmingham, established in 2021. Research Interests Champness’s work spans: - Design of porous materials (MOFs, HOFs) for gas storage and catalysis. - Surface self-assembly of 2D supramolecular frameworks. - Photoresponsive materials and molecular rotaxanes. - Chemical synthesis under constrained conditions. His group emphasizes interdisciplinary approaches, linking chemistry with materials science and nanotechnology. Awards & Recognition 2019: Elected Fellow of the European Academy of Sciences 2020: EPSRC Established Career Fellowship 2016: Royal Society of Chemistry Surfaces & Interfaces Award 2011: Thomson Reuters Highly Cited Researcher 2006: Corday-Morgan Medal (Royal Society of Chemistry) Advisory Roles & Grants - Editorial roles include Chem, Crystals, and CrystEngComm. - Served on Royal Society panels, Irish Research Council, and IUPAC. - Secured major grants from EPSRC and Royal Society. Labs & Collaborations His Birmingham group collaborates globally, with visiting professorships in Japan, Australia, and Brazil. Research is supported by advanced facilities in crystallography and surface chemistry.
Associate Professor John Arron Stride is affiliated with the University of New South Wales (UNSW) through the School of Chemistry. His research focuses on neutron techniques, molecular and molecule-based materials, and novel magnetic interactions in the solid state. Research Interests Development of neutron instrumentation and methods Study of magnetic materials including spin liquids and nano-magnets Supramolecular chemistry and intermolecular forces Key Affiliations School of Chemistry, UNSW
Dr. Ed E. Moret is an Associate Professor of Computational Medicinal Chemistry at Utrecht University, where he serves as Managing Director of the Utrecht Institute for Pharmaceutical Sciences. He is a member of the Departmental Executive Board and Chair of the Board of Examiners of the School of Pharmacy. His academic career spans over three decades with significant contributions to pharmaceutical sciences. Utrecht University, Utrecht Institute for Pharmaceutical Sciences School of Pharmacy, Department of Chemical Biology and Drug Discovery Managing Director since January 2010 Dr. Moret's educational background includes completing Gymnasium-b at Gymnasium Camphusianum in Gorinchem in 1979, followed by pharmacy studies at Utrecht University until 1988. He earned his PhD in 1993 with research on calculations and simulations of DNA-alkylating cytostatics under supervision of Prof. L.H.M. Janssen and Prof. J.P.A.E. Tollenaere. He also conducted postdoctoral research at the Scripps Research Institute with Prof. A.J. Olson. His primary research interests focus on molecular recognition, particularly in auto-immune diseases, with expertise spanning computational medicinal chemistry, computer-aided drug discovery, cheminformatics, and bioinformatics. Dr. Moret's work bridges the gap between theoretical calculations and experimental validation in drug design. His research portfolio demonstrates a consistent trajectory from fundamental molecular interactions to applied drug discovery, with particular emphasis on enzyme inhibitors, carbohydrate-protein interactions, and molecular recognition processes. Analysis of his publication record reveals a strong focus on structure-based drug design, with significant contributions to the development of inhibitors for enzymes like β-glucocerebrosidase, NNMT, and neuraminidase. His work spans multiple therapeutic areas including lysosomal storage disorders, cancer metabolism, and infectious diseases. The interdisciplinary nature of his research is evident in the integration of computational approaches with experimental validation across biochemistry, pharmacology, and medicinal chemistry. Teacher of the Year (awarded three times by Pharmacy students) Member of editorial boards for Medicines and Conceptuur journals Secretary of Board of FIGON (2016) Secretary of Raad voor de Farmaceutische Wetenschappen (2024) Member of Board of Stichting Farmaceutische Erfgoed (2024) Dr. Moret has been actively involved in educational innovation, developing and coordinating the master's programme Drug Innovation, the profile Drug Regulatory Sciences, and the Honours programme Pharmaceutical Sciences. He has taught courses for pharmacy, chemistry, UCU and medical sciences students, as well as PhD courses in bioinformatics and computer-aided drug discovery. His educational contributions include developing an inquiry-based elective course on drug discovery, for which he published educational research. He holds BKO and SKO teaching qualifications and participated in the Centre of Excellence in University Teaching program. As Managing Director of the Utrecht Institute for Pharmaceutical Sciences, Dr. Moret leads research initiatives across chemical biology, drug discovery, and pharmaceutical sciences. His leadership extends to multiple advisory and editorial roles within the pharmaceutical research community, reflecting his significant contributions to both academic and professional spheres of pharmaceutical sciences.
Institute of Science and Technology AustriaAustria
Latha Venkataraman is a Professor at the Institute of Science and Technology Austria (ISTA) since 2025, with prior tenure at Columbia University (2007-2025) including roles as Lawrence Gussman Professor of Applied Physics (2019-2025) and Vice Provost for Faculty Affairs (2019-2022). Her research focuses on molecular electronics , particularly single-molecule device physics , quantum transport , and metal-organic interfaces , with applications in organic electronics and catalysis . Key research themes include: Electronic, mechanical, and thermoelectric properties of atomic-scale devices Quantum interference effects in single-molecule junctions Electric field-driven chemical reactions and conductance modulation Development of gold-carbon and gold-sulfur contacts Her recent publications (2023-2025) reveal trends in topological molecular systems , spin-selective transport , and field-assisted chemical transformations , with collaborations spanning synthetic chemistry, theoretical physics, and materials science. Scientific accolades include the Alexander von Humboldt Research Award (2023) and ACS-PRF Grant (2008). Notable contributions include: Creation of single-molecule diodes and insulators via quantum interference First single-molecule potentiometer demonstration Elucidation of solvent effects on molecular junctions Advances in gold-thiol bond characterization Her lab trains students in applied physics and molecular engineering , with recent graduates like Liang Li and Woojung Lee . The group maintains strong ties with Columbia University and University of Science and Technology China .
John Straub is a Professor of Chemistry at Boston University, affiliated with the Chemistry Department. His research focuses on theoretical and computational studies of protein dynamics, thermodynamics, and phase transitions in molecular systems. He leads efforts to develop advanced algorithms for simulating phase changes in complex systems, including work supported by a National Science Foundation (NSF) grant (CH-1114676) to improve computational methods for phase transition modeling. His group has pioneered generalized simulated tempering and replica exchange algorithms, enabling more accurate simulations of phenomena like vapor-liquid phase changes and peptide aggregation. Dr. Straub also engages in science outreach through collaborations with the Pinhead Institute, supporting K-12 education programs and student internships. His research spans diverse topics such as cholesterol interactions in lipid membranes, amyloid fibril formation mechanisms, and the structural basis of protein aggregation in neurodegenerative diseases. His computational methods have been applied to study membrane proteins, lipid rafts, and the role of environmental factors in protein behavior. Key contributions include modeling amyloid-β aggregation pathways and investigating the impact of membrane composition on protein stability.
Bruno Alonso is a CNRS Research Director at the Institute of Chemistry of Montpellier (ICGM), a joint research unit of CNRS, University of Montpellier, and the National School of Chemistry of Montpellier (ENSCM). His work focuses on advanced materials chemistry with emphasis on nanostructured hybrid systems and NMR characterization of organic-inorganic interfaces. Education Engineer, National School of Chemistry of Paris (1993) Doctorate in Materials Science, University of Paris VI (1998) CNRS Research Fellow (2001) Accreditation to Supervise Research, University of Orléans (2006) Bachelor of Fine Arts, University of Paris 1-CNED (2017) Research Interests Dr. Alonso's research centers on hybrid organic-inorganic materials with expertise in sol-gel chemistry , nanoscale self-assembly , and advanced NMR spectroscopy . His group develops: Biomimetic nanocomposites using polysaccharides (chitin/cellulose) and oxides Zeolite systems with controlled heteroelement distribution and acidity Multinuclear NMR methods for probing molecular interactions at interfaces Applications span sustainable materials, energy storage, and catalytic systems with strong emphasis on green synthesis approaches. Publication Trends Analysis of recent publications (2021-2025) reveals dominant themes in zeolite chemistry (40% of output) and biomimetic nanomaterials (30%), with growing integration of computational methods (15%). His work increasingly employs machine learning for NMR prediction and solvent-free synthesis techniques , reflecting industry shifts toward sustainable materials. Collaborative publications span 12 countries with consistent focus on energy applications (hydrogen storage, thermal management) and advanced characterization. Research Infrastructure Based at Montpellier's Balard Research Chemistry Center, Dr. Alonso utilizes ICGM's state-of-the-art facilities including high-field NMR spectrometers and materials synthesis laboratories. His group maintains active collaborations with European institutions for X-ray diffraction, computational modeling, and gas-sensing applications.
David S. Corti is the Interim Jay and Cynthia Ihlenfeld Head of the Davidson School of Chemical Engineering at Purdue University, where he also serves as a Professor of Chemical Engineering and Director of Undergraduate Studies. His research focuses on thermophysical and kinetic properties of soft condensed-phase systems, including metastable liquids and colloidal dispersions. He employs theoretical and simulation techniques to study phenomena such as bubble nucleation and entropic force fields in colloidal systems. Corti holds a B.S. from the University of Pennsylvania (1991), an M.A. from Princeton University (1993), and a Ph.D. from Princeton (1997). His scientific contributions include advancements in understanding metastable liquid behavior, colloidal stability, and Hamaker constant estimation via atomic force microscopy. Notable honors include the NSF CAREER Award (2002), the 'Teaching for Tomorrow' Award (2002-2003), and University Faculty Scholar designation (2011-2016). Corti collaborates extensively, notably with Prof. Elias I. Franses on dispersion stability projects. His advising includes graduate student Betty Yung-Jih Yang. Research themes span bubble nucleation mechanisms, entropic control of colloids, and surfactant effects on nanoparticle stability. Corti's work bridges fundamental theory with industrial applications, addressing challenges in materials science and chemical engineering.
Kieron Burke is a Distinguished Professor in the Department of Chemistry and Department of Physics at the University of California, Irvine (UCI), where he also leads the Burke research group. His academic contributions focus on advancing density functional theory (DFT), a cornerstone of computational quantum mechanics. He collaborates with institutions like Google Accelerated Science and DeepMind to integrate machine learning into DFT, enhancing its predictive power for materials and chemical systems. His research spans theoretical and computational physical chemistry, materials science, and quantum mechanics. Notable achievements include pioneering density-corrected DFT and exploring DFT applications in extreme conditions like planetary interiors and fusion reactors. Prof. Burke's work is internationally recognized, with over 25,000 annual citations, and he holds prestigious fellowships from the American Physical Society and British Royal Society of Chemistry. Prof. Burke's educational initiatives include teaching a popular graduate course on machine learning for scientists and advocating for interdisciplinary training. His research group includes students from chemistry, physics, math, computer science, and engineering, reflecting his belief in cross-disciplinary approaches to scientific challenges. Awards: Fellow of the American Physical Society, British Royal Society of Chemistry, AAAS; Member of International Academy of Quantum Molecular Sciences Labs/Teams: Burke Research Group, focusing on DFT development and machine learning applications
Amir Asadi is an Associate Professor in the Department of Engineering Technology and Industrial Distribution at Texas A&M University, holding the Corrie & Jim Furber '64 Faculty Fellow position. His research focuses on scalable manufacturing of multifunctional composites, structural energy systems, and advanced materials design. He leads the Polymer Composites Advanced Manufacturing (PCAM) Lab, which explores bottom-up fabrication techniques and additive manufacturing processes. Asadi holds a Ph.D. in Mechanical and Manufacturing Engineering from the University of Manitoba (2013), an M.S. in Mechanical Engineering from Iran University of Science & Technology (2006), and a B.S. in Mechanical Engineering from the same institution (2004). His work bridges molecular-level interactions with macroscale material performance, targeting applications in aerospace, e-mobility, and energy storage. Key research interests include structural battery/supercapacitor composites, additive manufacturing of polymer composites, and fast-rate manufacturing of thermoplastics. He has pioneered methods like supercritical CO₂-assisted atomization and cellulose nanocrystal-enabled interface tailoring to enhance composite performance. Asadi has received the NSF CAREER Award (2022) and has been an invited speaker at major conferences such as the Brazilian Conference on Composite Materials (2021) and Chalmers University’s “Materials for Tomorrow” event (2020). His lab’s innovations aim to revolutionize lightweight, multifunctional materials for industrial sectors. His research outputs include over 50 peer-reviewed articles, covering topics from nanocomposite interfaces to 3D-printed structural batteries. He collaborates with industry partners like the Air Force Research Lab and focuses on translating lab-scale innovations into scalable manufacturing solutions.
Steven Corcelli is a Professor and Interim Dean of the College of Science at the University of Notre Dame, with a joint appointment in the Department of Chemistry and Biochemistry. He has held key leadership roles including Department Chair (2022–2025) and Associate Dean for Interdisciplinary Studies (2019–2022). His research is centered in the Computational Molecular Science & Engineering Laboratory (CoMSEL), where he leads a team exploring molecular and biomolecular systems through advanced simulations. Education: Ph.D. in Chemistry, Yale University, 2001 Sc.B. in Chemistry, Brown University, 1997 His research interests bridge theoretical and experimental physical chemistry, with a strong emphasis on aqueous electrolytes, biomolecular binding, and vibrational spectroscopy . He employs GPU-accelerated molecular dynamics and enhanced sampling techniques to study ion transport in aqueous solutions and the mechanisms of protein-DNA and protein-protein interactions, particularly in immunological contexts such as T-cell receptor binding. His work has significant implications for battery technologies and drug design. The 15 most recent publications reveal a consistent focus on molecular simulation, biophysical chemistry, and spectroscopy , with recurring themes in DNA-ligand binding, ion solvation, and immune recognition. His group develops and applies novel computational methods, such as the coupled local mode approach, to interpret vibrational spectra with high accuracy. Scientific Awards: Thomas P. Madden Award (2020) Rev. Edmund P. Joyce, C.S.C. Award for Excellence in Undergraduate Teaching (2019, 2012) Fellow, American Chemical Society (2016) Sloan Research Fellowship (2009) NSF CAREER Award (2009) Camille and Henry Dreyfus New Faculty Award (2005) Kavli Fellow, National Academies of Science (2011) Corcelli has advised numerous graduate students and postdoctoral researchers, many of whom have gone on to successful careers in academia and industry. His lab collaborates extensively with experimental groups, particularly in spectroscopy and immunology. He has secured substantial research funding and published over 85 peer-reviewed articles. His lab, CoMSEL, benefits from high-performance computing resources through the Center for Research Computing at Notre Dame, enabling large-scale simulations of complex molecular systems. Research Labs and Teams: The Computational Molecular Science & Engineering Laboratory (CoMSEL) is a multidisciplinary research group that combines theoretical chemistry, biophysics, and materials science. The team includes graduate students and staff scientists working on projects ranging from fundamental solvation dynamics to applied biomedical simulations.
