Overview Image

Dr. Kartik Sau

Computational Materials Scientist

Welcome to my academic home! I'm thrilled to share my journey as a computational materials scientist at WPI-AIMR, Tohoku University, Japan. My passion lies in discovering and designing novel materials for a sustainable future, right from the atomic scale.

Research Theme

A Quick Audio Introduction

A Little About My Journey

Kartik Sau

I am a computational materials scientist dedicated to advancing sustainable energy technologies through the discovery and design of novel functional materials. My research integrates quantum mechanical calculations, molecular dynamics simulations, and data-driven approaches to understand structure-property relationships at the atomic scale.

At WPI-AIMR, Tohoku University, I lead research projects focused on developing next-generation materials for energy storage, conversion, and efficiency applications. My work contributes to the fundamental understanding of material behavior while addressing critical challenges in renewable energy technologies.

Expertise

  • Molecular Dynamics (MD) Simulation
  • Density Functional Theory (DFT)
  • Materials Informatics (MI)
  • Fast Ion Conductors
  • Caloric Materials
  • Hydrogen Storage Materials
  • Quantum Chemistry

Academic Roots

  • Ph.D. in Physics, IIT Guwahati, India, 2017
  • M.Sc. in Physics, IIT Guwahati, India, 2011
  • B.Sc. in Physics, Calcutta University, India, 2009

Professional Path

  • Specially Appointed Senior Assistant Professor, WPI-AIMR, Tohoku University, Japan (2024-present)
  • Post-doc, MathAM-OIL, AIST, Japan (2023-2024)
  • JSPS Post-doc, WPI-AIMR, Tohoku University, Japan (2021-2023)
  • Post-doc, AIST Kansai, Japan (2021, 4 months)
  • Post-doc, MathAM-OIL, AIST, Japan (2017-2021)

Research Interests

Batt
Next-Gen Batteries
Designing and understanding materials for high-performance all-solid-state batteries.
Cal
Caloric Materials
Exploring barocaloric materials for efficient solid-state refrigeration.
Hâ‚‚
Hydrogen Storage
Investigating advanced materials for safe and efficient hydrogen storage applications.
ML
Machine Learning
Applying AI/ML techniques to accelerate materials discovery and optimization.
Sim
Materials Design
Using advanced simulations (MD, DFT) to predict and understand material properties.
QC
Quantum Chemistry
In-depth analysis of electronic structures.

News

APR 1

Exciting news! I receive JSPS Early Career Scientist (Kakenhi: Grant 25K17822) 2025-2027.

Funding

2024, JUL 25

Just published! Our latest review paper, "Unlocking the secrets of ideal fast ion conductors for all-solid-state batteries," is now available in Communications Materials. Discover more

Review Publication

2024, APR 01

I'm delighted to share that I've been promoted to a Specially Appointed Senior Assistant Professor at WPI-AIMR. A new chapter begins!

Career Update