Tim Mueller - Principal investigator
Prior to joining the faculty of Johns Hopkins in 2012, Tim cofounded Pellion Technologies, a company that is leveraging computational tools to develop advanced batteries. He has an A.B. in Applied Mathematics from Harvard University and a Ph.D. in Materials Science and Engineering from MIT.
Liang Cao - Postdoctoral associate
Liang graduated with B.S. of Physics from University of Science and Technology of China (USTC) and Ph.D. of Physics from Johns Hopkins University. Liang is interested in ab initio calculations and cluster expansion method for discovery and design of new catalytic materials. He’s currently investigating Pt-Ni based nanocatalysts for the oxygen reduction reaction (ORR), and Cu-based nanocatalysts for CO2/CO reduction.
Shanping Liu - Postdoctoral associate
Shanping graduated with a Ph.D. in Materials Science and Engineering from Jilin University of China. As a Ph.D., her research mainly focused on calculating reaction mechanisms of CO2 reduction and revealing the solvent effects on different catalytic reactions. Currently, her research is to predict the structure and properties of small clusters and their possible application in catalysis, with the effects of solvents.
Tanmoy Chakraborty - Postdoctoral associate
Tanmoy joined Johns Hopkins University as a Postdoc in December 2019. Prior to joining Johns Hopkins he was a postdoc at the University of Illinois at Urbana-Champaign from April 2018 - November 2019. He received his PhD in Physics from Ruhr-University Bochum in December 2017. He completed his M.Sc in Physics at the Indian Institute of Technology (IIT) Guwahati in 2011 following which he joined CSIR-CMERI Durgapur as a project fellow and worked there from 2011-2013. Tanmoy is interested in DFT-based multi-scale modeling for the understanding, design and discovery of new energy materials. He is currently working on cluster expansions on surfaces and nano-particles and developing machine-learning potentials for materials.
Pandu Wisesa - Research Assistant
Pandu graduated from University of Illinois with a BSc. in Materials Science and Engineering and concentration in metals. As an undergraduate he did research on the fabrication of carbon nanotubes and diffusion of oxygen through HCP metals. His research interests are in energy and hard materials, mechanical properties of materials, and diffusion.
Chenyang Li - Ph.D. student in Materials
Chenyang graduated from Penn State University with a BS in Materials Science and Engineering. As an undergraduate he did research on first-principles spectroscopic study on hydroxyapatite (for water purification). His research interests are energy materials and is currently working on Pt-based nanocatalysts by cluster expansions.
Alberto Hernandez - Ph.D. student in Materials
Alberto graduated from the Costa Rica Institute of Technology with a BS in Materials Engineering with an emphasis in microelectronics. Previously, he investigated graphene/ZnO/protein solar cells. Currently, he is interested in machine learning methods for materials, and is working on genetic programming to accelerate materials research.
Chuhong Wang - Ph.D. student in Materials
Chuhong graduated with B.S. of Materials Science and Engineering from Tongji University. As an undergraduate, she did research on the calculation of nanoparticles using EAM potential models. Currently, her research is focused on the Pt-based nanocatalysts for the oxygen reduction reaction.
Yunzhe Wang - Ph.D. student in Materials
Yunzhe graduated from the University of Hong Kong with a BSc. in Materials Science and Engineering, and minors in physics and mathematics. During his undergraduate study, he conducted research in high-strength titanium composite and stretchable conductive transparent electrodes. Currently, he is endeavoring to improve efficiency of K-Point server in the group for DFT calculation.
Koutarou Aoyagi - Visiting Scholar
Koutarou graduated with MS in Materials Science and Engineering from Tokyo Institute of Technology. He is a visiting scholar from TOYOTA Motor Corporation in Japan. Currently, his research focuses on the computational design of materials for Li-ion battery with machine learning and calculations.
Yang Cheng - M.S.E. student in Materials
Yang Cheng graduated from Tianjin University with a Bachelor of Engineering in Materials Science and Engineering. As an undergraduate she did research on anode material of lithium-ion battery, Ti3C2 co-intercalated with MoS2 and Ag2S. She is interested in computational materials science.
Adarsh Balasubramanian - M.S.E. student in Materials
Adarsh graduated from the Indian institute of Technology Madras with a B.Tech in Metallurgical and Materials Engineering. As an undergraduate, he worked on developing atomistic potentials for heterogeneous systems of Pure Titanium using Machine Learning. He is also an active open-source developer, and has developed Molecular Dynamics visualisation tools for Avogadro software as part of the Google Summer of Code Programme. Currently, he is developing potential models using artificial intelligence.
Sam Norwood - M.S.E. student in Materials
Sam graduated from Johns Hopkins University with a BS in Chemical and Biomolecular Engineering and Materials Science and Engineering. He began working with the group as a senior, using ab initio calculations to investigate the performance of conductive metal-organic frameworks as materials for alkali-ion energy storage. Currently, his research focuses on employing machine learning methods to predict the structures of ligated nanoclusters.
Abigail Park - Undergraduate
Abby is a sophomore studying Materials Science and Engineering at Johns Hopkins University. Her research involves modeling clusters of specific molecules and determining their stability after adding a charge.
Former members
Sukriti Manna - Postdoctoral associate
Sukriti earned his Ph.D. in Mechanical Engineering at Colorado School of Mines for his work on design and discovery of new piezoelectric materials using high throughput density functional theory. Prior to that, he completed his MS in Materials Engineering from IISc Bangalore, India. He joined Mueller's group at Johns Hopkins University in Aug 2018. Currently, he used a genetic algorithm to predict the structure of Ligated nanoclusters.
Fenglin Yuan - Postdoctoral associate
Fenglin graduated with B.S. of Materials Physics from Wuhan University (China) and Ph.D. of Materials Engineering from Rensselaer Polytechnic Institute. Fenglin's interested in both ab initio and molecular dynamics calculations for inorganic materials as well as force field development for molecular simulations. Fenglin's research in our group primarily focused on automated generation of force fields by genetic programming.
André Botelho - Postdoctoral associate
André has a BS and MS in Manufacturing Engineering and a PhD in Materials Science and Engineering from Boston University. He worked with our group on structure calculations of materials, especially organic, for applications in alternative energy, electronic/MEMS devices, and artificial muscles.
Peter Lile - M.S.E. student in Materials
Peter is interested in energy calculations and physical properties for materials. He graduated from St. Olaf College with a B.A in Mathematics and a concentration in Chemistry.
Thomas Nilson - M.S.E. student in Materials
Thomas graduated from the University of Pittsburgh with a BS in Engineering Science, with a focus on physics. As an undergraduate, he did research on the synthesis of NbC nanorods and their potential for use in solar cells. With our group, he used cluster expansions to predict the properties of Pt alloy nanoparticles.
Le Niu - M.S.E. student in Materials
Le graduated from Univeristy of Science and Technology Beijing with a BS in Materials Physics. As an undergraduate he did research on first-principle study of electronic properties of metal-semiconductor contact. With our group, his research interests were in development of cluster expansion method and its implementation in design of PtNi alloy catalysts for oxygen reduction.
Hao Gao - M.S.E. student in Materials
Hao graduated from Southeast University with a BS in Materials Science and Engineering. As an undergraduate, she was majored in electronic information materials and did research on the effect of microalloying on metallic glass forming ability. Her research focused on energy materials and computationally modelling structures.
Wan Wan - M.S.E. student in Materials
Wan Wan graduated from University of Science and Technology Beijing with a B.S in Nanomaterials and Nanotechnology. As an undergraduate she did research on synthesis of nano materials and their applications in diagnosis and therapy of critical diseases. Her research focused on energy materials and computational materials science.
Simon Mason - Undergraduate
Simon joined the group as a freshman studying Materials Science and Engineering at Johns Hopkins University. His research involved using genetic algorithms and machine learning techniques for material analysis.
Nathan Smith - Undergraduate
Nathan joined the group as a freshman at Johns Hopkins University studying Materials Science and Engineering. His research involved modeling surface structures and their mutations.
Mia Dunn - Undergraduate
Mia joined the group as a freshman studying Materials Science and Engineering at Johns Hopkins University. Her research involved modeling surface structures.
Jack Bond - Undergraduate
Jack joined the group as a freshman studying Materials Science and Engineering and Physics at Johns Hopkins University. His research involved writing an interface for integration of database information into the K-point server’s report.
Brendan Lee - Undergraduate
Brendan joined the group as a freshman undergraduate at Johns Hopkins University. His research focused on modeling surface structures and testing and improving the functionalities of the server.
Santiago Encarnacion - Undergraduate
Santiago worked on genetic algorithms and surfaces.
Meilin Else - Undergraduate
Meilin studied Materials Science and Engineering at Johns Hopkins University. Her research was primarily focused in computationally modeling surface structures.
Kyle McGill - Undergraduate
Kyle worked in our group as an undergraduate and did his senior design project in our group. He graduated with a degree in Materials Science and Engineering in 2014.
Eunhee Kim - Intern
Eunhee spent a semester in our group as an intern as part of the Korea WEST program in 2014.