July 2025: Prof. Mannodi delivered an invited talk titled "Rational Computational Design of Next-Generation Semiconductors" at the NIST Artificial Intelligence for Materials Science (AIMS) Workshop.
June 2025: We welcome a new PhD student to our group- Staci Strader.
June 2025: The Mannodi group has received an “AI Fusion Collaborative Project” seed grant from the Purdue Colleges of Agriculture, Engineering and Science. The co-PI for this project is Prof. Justin Andrews from the Chemistry department.
May 2025 - July 2025: Congratulations to MSE undergraduate student Jun Ahn on being selected for a Discovery Undergraduate Interdisciplinary Research Internship (DUIRI)! Jun worked with our group in developing machine learning models to predict the electronic properties and synthesis likelihood of perovskite semiconductors.
May 2025 - July 2025: PhD student Maitreyo Biswas spends the summer as a research intern at Argonne National Laboratory.
May 2025 - Aug 2025: PhD student Md Habibur Rahman spends the summer working at GE Aviation in the position of GE Aerospace Research - Material Informatics Fellow Internship.
May 2025 - Aug 2025: PhD student Tyriek Craigs spends the summer as a research intern at Air Force Research Laboratory (AFRL).
Apr 2025: Congratulations to PhD student Md Habibur Rahman on completing his PhD thesis proposal. Habibur’s presentation was titled “Tailoring Defect Properties of Semiconductors using Atomistic Simulations and Artificial Intelligence”.
March 2025: Congratulations to PhD student Md Habibur Rahman on receiving the Frederick N. Andrews Environmental Travel Grant ($1500) from Purdue University in spring 2025!
March 2025: Congratulations to PhD student Md Habibur Rahman on winning the Estus H. and Vashti L. Magoon Research Excellence Award from Purdue College of Engineering!
Feb 2025: Congratulations to PhD student Maitreyo Biswas on winning the best poster presentation award at the Materials Research and Data Alliance (MaRDA) 2025 annual meeting.
Nov 2024: Many congratulations to Anika Bhoopalam on successfully defending her undergraduate research thesis titled “Narrow Low Band Gap Perovskites Using a Computational and Experimental Approach”. Anika was co-advised by Prof. Mannodi and Prof. Letian Dou.
Nov 2024: Congratulations to PhD student Rushik Desai on successfully completing his PhD prelim exam! Rushik delivered a presentation titled “Investigating the Effect of Perovskite Dimensionality on Properties”.
Oct 2024: The Mannodi group received funding for a single-PI project titled "Understanding Atomistic Defect Structures and Complexes Related to Group-V Doping in CdSeTe" from the CdTe Accelerator Consortium, part of the DOE Office of Energy Efficiency and Renewable Energy (EERE), Solar Energy Technologies Office (SETO).
Oct 2024: Congratulations to PhD student Maitreyo Biswas on successfully completing his PhD prelim exam! Maitreyo delivered a presentation titled “ML-Augmented DFT to Discover Novel Perovskites Photocatalysts”.
Oct 2024: The Purdue Engineering Review Medium Blog published an article about AI for materials engineering focused on the Mannodi research group.
Summer 2024: The Mannodi group received a Nuclear Regulatory Commission (NRC) Faculty Development Grant for a project titled "Faculty Advancement in Radiation Sensing, Detecting, and Responsive Materials".
Aug 2024: The Rosen Center for Advanced Computing (RCAC) at Purdue published a Science Highlight article about the Mannodi research group’s innovative usage of the local computing clusters. Check it out here!
May 2024: The Mannodi group received funding for a single-PI project titled "Understanding Defect Behavior in CdTe Solar Cells using First Principles Simulations and Graph Neural Networks" from the DOE Office of Energy Efficiency and Renewable Energy (EERE), Solar Energy Technologies Office (SETO).
April 2024: Prof. Mannodi delivered an invited talk titled “Machine Learning Defect Properties of Semiconductors” in the symposium “Machine Learning Methods, Data and Automation for Sustainable Electronics” at the MRS Spring Meeting in Seattle.
March 2024: Prof. Mannodi delivered an invited MSE seminar at Boston University, titled “Semiconductor Discovery using Multi-Fidelity DFT-ML and Crystal Graphs”.
Feb 2024: Congratulations to PhD student Rushik Desai on winning the best poster presentation award at the Materials Research and Data Alliance (MaRDA) 2024 annual meeting.
Jan 2024: The Mannodi group received funding from the NSF Division of Chemistry (CHE) for a multi-PI project titled "Electrocatalytic production of valuable polymer feedstocks from biomass-derived furanics and CO2".
2024: The Mannodi group received a DOE-EERE subcontract from Argonne National Laboratory for a collaborative project titled "Understanding Defect Activation And Kinetics In Next Generation CdTe Absorbers".
Dec 2023: Prof. Mannodi delivered an invited talk on “Data-Driven Materials Design” at IIT Delhi, New Delhi, India.
Dec 2023: Prof. Mannodi delivered an invited talk titled “Machine Learning Defect Properties of Semiconductors” at The XXIII International Workshop on the Physics of Semiconductor Devices (IWPSD 2023) held at IIT Madras, Chennai, India.
Oct 2023: Prof. Mannodi delivered an MRS webinar titled “TUTORIAL PREVIEW SESSION: Machine Learning in Materials Science—From Basic Concepts to Active Learning”.
Oct 2023: Prof. Mannodi was selected as a Fellow for Scialog: Automating Chemical Laboratories, organized by the Research Corporation for Science Advancement and the Arnold and Mabel Beckman Foundation.
Oct 2023: Congratulations to PhD student Habibur Rahman on passing his PhD prelim exam! Habibur’s presentation was titled “Studying Defect Properties in Semiconductors using First Principles Simulations and Machine Learning”.
Sep 2023: Prof. Mannodi was selected to represent The Minerals, Metals and Materials Society (TMS) at the 2023 Emerging Leaders Alliance Conference.
Aug 2023: We welcome two new PhD students to the group- Maitreyo Biswas and Rushik Desai.
July 2023: Jiaqi Yang successfully defended his PhD thesis on July 10, 2023. CONGRATULATIONS Jiaqi! His thesis is titled “Materials Design using First Principles Calculations: Investigating Halide Perovskites and Transition Metal Electrocatalysts”.
Jun 2023: Prof. Mannodi delivered an invited virtual seminar titled “Discovering Novel Halide Perovskites using Multi-Fidelity Machine Learning and Graph Neural Networks” at the 3M Materials Informatics Tech Forum.
Jun 2023: Panayotis Manganaris successfully defended his Master’s thesis on June 8, 2023. CONGRATULATIONS Panos! His thesis is titled “Multi-Fidelity Machine Learning for Perovskite Band Gap Predictions”.
May 2023: We welcome several Purdue undergraduate students as summer researchers in our group: Gavin Bidna (SURF), Carolina Francis, Anika Bhoopalam, Ridhi Sai Tamirasa, and Benjamin Reigle.
Apr 2023: Prof. Mannodi organized a day-long machine learning tutorial at the MRS spring meeting in San Francisco.
Mar 2023: Prof. Mannodi is a recipient of the The Minerals, Metals & Materials Society (TMS) Functional Materials Division (FMD) Young Leaders Professional Development Award.
Nov/Dec 2022: Prof. Mannodi organized a day-long machine learning tutorial and a 4-day long symposium on AI for energy materials at the MRS fall meeting in Boston. As part of this effort, he was interviewed by MRS TV on the importance of machine learning in materials science: find recording here.
Nov 2022: Prof. Mannodi delivered a presentation at the MRS Webinar on Artificial Intelligence in Computational Materials Science, title “High-throughput Computations and Machine Learning for Halide Perovskite Discovery“. Recording can be found online.
Oct 2022: Prof. Mannodi delivered two invited talks at MS&T 2022, titled “Multi-Fidelity Machine Learning for Perovskite Discovery” and “Machine Learning Defect Properties of Semiconductors”.
Sep 2022: Prof. Mannodi delivered an invited seminar titled “Multi-Fidelity Machine Learning for Perovskite Discovery” at the Center for Materials and Nanoscience at the University of Nebraska.
Aug 2022: Prof. Mannodi delivered an invited talk titled “Driving Perovskite Discovery using Multi-Fidelity DFT-ML” at the “Computational Materials Science and Engineering” Gordon Research Conference.
Aug 2022: We welcome Rama Edlabadkar as an undergraduate researcher to our group, aiming to use graph neural networks to design novel halide perovskites as part of her bachelor thesis project.
Aug 2022: We welcome Prince Gollapalli as a visiting scholar to our group, aiming to complete a project on defects in semiconductors leading up to his PhD defense.
Aug 2022: We welcome Habibur Rahman to our group as a new PhD student.
May 2022: Prof. Mannodi delivered an invited talk titled “Machine Learning Defect Properties of Semiconductors” at the MRS Spring Meeting, symposium EQ02.
2021: The Mannodi group received funding from the NSF Division of Chemistry (CHE) for a multi-PI project titled "Photocatalytic Ketyl and Amino Radicals-Initiated C-C Bond Formation on Semiconductor-Based Photocatalysts".
2021: The Mannodi group received a DOE-EERE subcontract from Argonne National Laboratory for a collaborative project titled "Understanding Defect Activation And Kinetics In Next Generation CdTe Absorbers".
Dec 2021: Prof. Mannodi was featured as a Modelling and Simulation in Materials Science and Engineering Emerging Leader for 2021.
Aug 2021: Congratulations to graduate student Panayotis Manganaris on being awarded the Ross Fellowship!
Prof. Mannodi was featured on the List of Outstanding Graduate School Instructors for Spring 2021 at Purdue University.