Computational Materials Science
Computational Materials Science
(CMS) Group
at IISER Thiruvananthapuram
at IISER Thiruvananthapuram
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Computational Materials Science (CMS) group was started in 2023. We employ first-principles based Density Functional Theory (DFT) to understand the properties of materials at the atomic level. DFT is a quantum mechanical technique that allows us to compute and comprehend the behaviour of electrons in materials precisely. It provides a robust framework for studying the structural, electronic, magnetic, and optical properties. The advent of high-performance computing facilities and the integration of DFT formalism with advanced computational techniques make it a cornerstone of modern computational materials science. Our primary goal is to discover novel materials, explain materials behaviour and mechanisms, interpret experimental results and develop materials theory.
Computational Materials Science (CMS) group was started in 2023. We employ first-principles based Density Functional Theory (DFT) to understand the properties of materials at the atomic level. DFT is a quantum mechanical technique that allows us to compute and comprehend the behaviour of electrons in materials precisely. It provides a robust framework for studying the structural, electronic, magnetic, and optical properties. The advent of high-performance computing facilities and the integration of DFT formalism with advanced computational techniques make it a cornerstone of modern computational materials science. Our primary goal is to discover novel materials, explain materials behaviour and mechanisms, interpret experimental results and develop materials theory.
Vacancy
Vacancy
PhD positions are available in the group.
PhD positions are available in the group.
Eligibility criteria are as per IISER TVM rules.
Outstanding students will get an opportunity to work with a renowned international co-supervisor and conduct research visits to the host institute through the International PhD Program.
News updates
***Selected as an Editors' Suggestion—a truly proud moment for us***
In this work, we have identified zero-field isolated skyrmions in Pd/Co and Rh/Co atomic bilayers on Re(0001), which could be identified in low-temperature experiments.
***Selected as an Editors' Suggestion—a truly proud moment for us***
In this work, we have identified zero-field isolated skyrmions in Pd/Co and Rh/Co atomic bilayers on Re(0001), which could be identified in low-temperature experiments.
Jan 2026: Mr. Srimaya Sahu joins the group. Welcome!
Jan 2026: Mr. Srimaya Sahu joins the group. Welcome!
18.02.2025: Received "Prime Minister Early Career Research Grant" from Anusandhan National Research Foundation (ANRF) for a project on antiferromagnetic skyrmions.
18.02.2025: Received "Prime Minister Early Career Research Grant" from Anusandhan National Research Foundation (ANRF) for a project on antiferromagnetic skyrmions.
09.07.2024: Become a visiting researcher at CAU Kiel, Germany, hosted by Prof. Stefan Heinze, which allows us to access the university facilities and enable research visits to carry out our research.
09.07.2024: Become a visiting researcher at CAU Kiel, Germany, hosted by Prof. Stefan Heinze, which allows us to access the university facilities and enable research visits to carry out our research.
June-July 2024: Research visit to Prof. Stefan Blügel at Forschungszentrum Jülich GmbH, Germany, and Prof. Stefan Heinze at CAU Kiel, Germany.
June-July 2024: Research visit to Prof. Stefan Blügel at Forschungszentrum Jülich GmbH, Germany, and Prof. Stefan Heinze at CAU Kiel, Germany.
June 2024: Prof. Stefan Heinze of CAU Kiel, Germany, officially becomes the PhD co-supervisor of Mr. Moinak Ghosh under the International PhD Program, which allows him to access the HPC facilities of CAU Kiel, and spend time at CAU Kiel to carry out his research.
June 2024: Prof. Stefan Heinze of CAU Kiel, Germany, officially becomes the PhD co-supervisor of Mr. Moinak Ghosh under the International PhD Program, which allows him to access the HPC facilities of CAU Kiel, and spend time at CAU Kiel to carry out his research.
21.02.2024: Paper published in Physical Review B. We have identified five novel transition-metal based ultrathin films which can host isolated skyrmions.
21.02.2024: Paper published in Physical Review B. We have identified five novel transition-metal based ultrathin films which can host isolated skyrmions.
Jan 2024: Mr. Bipin Babu joins the group. Welcome!
Jan 2024: Mr. Bipin Babu joins the group. Welcome!
Jan 2024: Mr. Moinak Ghosh joins the group. Welcome!
Jan 2024: Mr. Moinak Ghosh joins the group. Welcome!
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