Ramya Kormath Madam Raghupathy
Summary
I have a Ph.D. In Computational Materials Science and 14 years of hands-on experience in multi-scale modeling simulations for various energy-related materials. Demonstrated ability to lead interdisciplinary teams, establish standard operating procedures (SOPs), and drive innovative projects. Skilled in collaborating with experimentalists, utilizing advanced modeling tools, and applying machine learning approaches to enhance research outcome and cost-saving initiatives.
Overview
10
10
years of professional experience
Work History
Senior Cell Materials Simulation Engineer
Dyson
09.2022 - Current
- Establish and lead an atomistic simulation team within the department.
- Planned and managed electrolyte projects, including risk assessment and deliverables.
- Develop, optimize, and conduct various electrolyte formulations to investigate critical factors affecting the electrochemical performance of Li-ion batteries.
- Predict new electrolyte formulations using machine learning approaches.
- Develop and oversee simulation projects for various battery components such as electrolytes, cathodes, anodes, and separators.
- Create and implement standard operating procedures (SOPs) for experimental and simulation techniques.
- Automate Python scripts for experimental data analysis.
- Estimate state of charge (SOC) predictions using a machine learning approach.
- Consolidate experimental characterization data and develop a comprehensive database.
Postdoctoral Researcher
University Of Paderborn
10.2017 - 09.2022
- Developed resource-abundant and sustainable metal-free bifunctional oxygen electrocatalysts for zinc–air batteries (ZABs).
- Identified high-rate 2D covalent organic framework anodes for aqueous Zinc-ion storage devices.
- Conducted and identified p-type transparent conductors for tandem based solar cell devices.
- Developed neural network based interatomic potentials for Solid state systems.
- Secure funding for research on identifying 2D-based materials for photocatalytic water splitting application.
Postdoctoral Researcher
Max-Planck Institute for CPFS
01.2017 - 09.2017
- Developed, designed and identified a workflow for high-throughput virtual screening of p-type transparent semiconducting materials for solar cell devices.
Visiting Researcher
IISER Pune
01.2016 - 12.2016
- Identified and investigated the optoelectronic properties of non-metal based phosphorene derivatives for photocatalytic water splitting applications.
Postdoctoral Researcher
University of Iceland
11.2014 - 11.2015
- Employed adaptive kinetic Monte Carlo simulations to identify and analyze the Key factors influencing the formation and stability of various structural forms of amorphous solid water in astrophysical environments.
Education
Ph.D. - Computation Material Science
IISER Pune
Pune, India06.2014
Master of Science - Physics
Meenakshi College For Women
Chennai, India04.2009
Bachelor of Science - Physics
Queen Mary's College For Women
Chennai, India05.2007
Skills
▪ Automate material screening procedures, reducing manual effort and accelerating material discovery
▪ Designing and implementing efficient simulation workflows for battery research
▪ Computational design of advanced electrolytes for Lithium-ion batteries
▪ Electrochemical models encompassing diffusion and phase changes as a function of state of charge
▪ SEM Image Analysis for determining the carbon binder distribution in cathode active material
▪ Modeling low-cost, earth-abundant metal-free electrocatalysts for Zinc-air batteries
▪ High-rate two-dimensional covalent organic framework anode for aqueous Zinc-ion energy storage devices
▪ Imidazolium-based ionic liquids as electrolytes for batteries
▪ Data Analysis and corroborating experimental data with simulation results to extract meaningful insights
▪ Validate hypotheses related to material behavior and cell performance
▪ Hands-on characterization of electrolyte materials using techniques such as FTIR and NMR
▪ Root-cause and failure analysis of battery materials
▪ Establishing rigorous IQC protocols for incoming electrolyte samples
▪ Study electrolyte aging behavior under varying storage conditions
Accomplishments
- MedeA
- VASP
- GROMACS
- LAMMPS
- COMSOL
- Python
- Fortran
- Bash Scripting
- Matlab/Simulink
- Machine Learning
HONORS and AWARDS
- Young Female Researcher Award, University of Paderborn, Paderborn, Germany
- Indian Academy of Sciences, Summer Fellowship Program, IISER Pune, Pune, India
Languages
English
Bilingual or Proficient (C2)
Hindi
Bilingual or Proficient (C2)
Tamil
Advanced (C1)
Malayalam
Upper intermediate (B2)
Telugu
Upper intermediate (B2)
Marathi
Elementary (A2)
German
Intermediate (B1)
Selected Publications
Link to complete publication list (Google Scholar: K R RAMYA )
I have listed below my relevant research papers, which demonstrate my computational modeling expertise for battery and energy related materials.
1. Interfacial Covalent Bonds Regulated Electron‐Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions, Advanced Materials, 33, 2008752 (2021). (Press release)
2. A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices, Journal of American Chemical Society, 142, 19570 (2020).
3. Database Screening of Ternary Chalcogenides for p-type Transparent Conductors, Chemistry of Materials, 30, 6794 (2018).
4. Rational design of transparent p-type conducting non-oxide materials from high-throughput calculations, Journal of Material Chemistry. C, 6, 541 (2018).
5. Interplay of Phase segregation, tail aggregation, and micelle formation in the Nanostructured organization of a hydrated imidazolium ionic liquid, Journal of Physical Chemistry. B, 118, 29 (2014).
Timeline
Senior Cell Materials Simulation Engineer
Dyson
09.2022 - Current
Postdoctoral Researcher
University Of Paderborn
10.2017 - 09.2022
Postdoctoral Researcher
Max-Planck Institute for CPFS
01.2017 - 09.2017
Visiting Researcher
IISER Pune
01.2016 - 12.2016
Postdoctoral Researcher
University of Iceland
11.2014 - 11.2015
Ph.D. - Computation Material Science
IISER Pune
Master of Science - Physics
Meenakshi College For Women
Bachelor of Science - Physics
Queen Mary's College For Women
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