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Murali Gopal Muraleedharan

Stand for a sustainable future #sustainability

About me

My mission is to empower businesses, R&D teams, and individuals by providing the knowledge, solutions, and tools necessary to make this world a better place. My research methods complement my natural talent in theoretical modeling of complex and abstract scientific phenomena, utilizing advanced computing, data-driven methodologies, and AI-leveraged approaches.

While my foundation remains rooted in materials science, my work now expands to the broader challenges we face today as a civilization. Placed at the intersection of materials design, advanced manufacturing, and asset health maintenance and life extension; spanning a broad range of length and time scales, I am passionate about leveraging collaborative engagements with top talent globally, to drive sustainable progress.

Throughout my journey, I’ve had the privilege of working closely with several Originals. These partnerships have sharpened my ability to navigate new frontiers, fostering continuous learning, and adaptability. My versatile experience helps me push the boundaries of research and knowledge dissemination.

Explore my work and join me in shaping a future where innovation and sustainability coexist at the forefront of progress.

New book chapter on MXenes published on Wiley

New book chapter titled "Insights into the Properties of MXenes and MXene Analogs from Atomistic Simulation" in the book "Transition Metal Carbides and Nitrides (MXenes) Handbook: Synthesis, Processing, Properties and Applications" is now online.

July 28, 2024

Key MXene research published in Nature Communications

Where do ions go during intercalation or synthesis on MXenes? - not only surface terminations, but also transition metal sites. In this Nature Communications article, we show where alkali cations (Li, Na, K) can go during MXene synthesis and post-processing. We present how transition metal vacancy sites are occupied by alkali cations, and their effect on MXene structure stabilization to control MXene’s phase transition. Read more...

News

(Jun 11, 2024) New article titled "Alkali cation stabilization of defects in 2D MXenes at ambient and elevated temperatures" accepted for publication at Nature Communications. This paper addresses how and where ions go on MXene structures during intercalation, an important question relevant to energy storage and synthesis been answered with the aid of theory and experimentation.
(Jun 7, 2024) New book chapter "Insights into the Properties of MXenes and MXene Analogs from Atomistic Simulation" published in the book "Transition Metal Carbides and Nitrides (MXenes) Handbook: Synthesis, Processing, Properties and Applications" by Wiley.
(Nov 1, 2022) Dr. Muraleedharan joined Sentient Science as Principal Materials Scientist.
(Oct 4, 2022) New article titled "Importance of Nuclear Quantum Effects on Aqueous Electrolyte Transport Under Confinement in Ti3C2 MXenes" has been published at the Journal of Chemical Theory and Computation (ACS). This paper discusses the role of NQE in predicting the spatiotemporal correlations in electrolytes using multiple levels of theory - DFTB, Neural Network Potentials, and ReaxFF.
(May 31, 2022) New article titled "Novel boron nitride MXenes as promising energy storage materials" has been published at Nanoscale (RSC). This is the pilot paper in the series dedicated towards novel X-alloy MXene discovery.
(Apr 23, 2021) New publication titled "Interfacial Reactivity and Speciation Emerging from Na-Montmorillonite Interactions with Water and Formic Acid at 200 °C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and X-ray Scattering Measurements" is now online on ACS Earth & Space Chemistry.

Professional Appointments

Sentient Science Corporation, NY, NY, USA

Principal Materials Scientist, Nov 2022 - Present

At Sentient, I develop customer-focused AI-powered SaaS solutions in the domains of Additive Manufacturing, Materials Design and Discovery.

Oak Ridge National Laboratory, Oak Ridge, TN, USA

Postdoctoral Associate, Feb 2021 - Oct 2022

Under the mentorship of renowned Computational Physicist Dr. Paul Kent, at the Computational Science and Engineering Division within the Computing and Computational Directorate, Oak Ridge National Laboratory, I developed high throughput DFT frameworks and AI-based force field development for MXene nanostructures for energy storage applications.

Pennsylvania State University, State College, PA, USA

Postdoctoral Associate, Jan 2019 - Jan 2021

Under the mentorship of ReaxFF inventor and renowned Chemist Prof. Adri van Duin of Penn State and environmentalist/inventor Prof. Greeshma Gadikota of Cornell, I developed advanced force field optimization techniques for Reax force fields of highly complex layered aluminosilicates for carbon capture and storage applications.

Education

Georgia Institute of Technology, Atlanta, GA, USA

PhD, Aerospace Engineering, 2018

MS, Aerospace Engineering, 2015

National Institute of Technology, Calicut, Kerala, India

B.Tech, Mechanical Engineering, 2013

Awards and Recognitions

2021 ORNL Your Science in a Nutshell (YSIAN) competition finalist
2020 Outstanding Postdoctoral Research Award by the MUSE Energy Research Frontier Center (EFRC-MUSE)
2016 David Weaver Best Student Paper Award by the AIAA Thermophysics Technical Committee
2013 Oil and Natural Gas (ONGC) Scholarship for Academic Excellence, India
2013 University Gold Medal in Mechanical Engineering, NIT Calicut
2011 Rajiv Gandhi Talent Search Scholarship, Jawaharlal Nehru Center for Advanced Scientific Research

Contact me

muraligopal.m@gmail.com

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