New 3D Materials Lab Opens at RPI's Center for Biotechnology & Interdisciplinary Studies

Rensselaer Polytechnic Institute's (RPI) Department of Chemical and Biological Engineering is pleased to announce the opening of a new 3D Materials Lab at RPI's Center for Biotechnology & Interdisciplinary Studies (CBIS). The lab is led by Dr. Prashun Gorai, a Chemical and Biological Engineering professor, formerly at the Colorado School of Mines, and jointly appointed at the National Renewable Energy Laboratory (NREL).

 The 3D Materials Lab will focus on the discovery and design of novel materials for energy conversion and storage, next-generation microelectronics, and environmental sustainability. The lab will use a variety of computational tools, including first-principles methods, high-throughput computing, and machine learning, to discover novel materials and derive structure-property relationships from large datasets. 

 "We are excited to be at the forefront of materials research," said Dr. Gorai. "Our lab is committed to developing innovative materials that will address some of the world's most pressing challenges, such as climate change and energy security." The 3D Materials Lab is located in CBIS at RPI. CBIS is a state-of-the-art research facility that brings together scientists from a variety of disciplines to collaborate on interdisciplinary research projects.

Gorai Labs Research Overview

Dr. Prashun Gorai's research interests primarily focus on the discovery and design of novel materials, particularly in the areas of energy conversion and storage, next-generation microelectronics, and environmental sustainability. His work utilizes computational tools, including first-principles methods and machine learning, to accelerate the discovery and design of functional materials. 

A significant aspect of Dr. Gorai's research involves high-throughput computational searches, in which the properties of a large number of materials are computed using first-principles calculations. These extensive datasets are then analyzed to identify materials with desired properties, streamlining and accelerating the materials discovery process. This approach is particularly valuable for applications requiring a balance of properties that are typically considered contraindicated, such as high electrical conductivity and low thermal conductivity in thermoelectric materials.

Dr. Gorai's research also delves into materials design through doping and alloying—techniques used to optimize functional and structural properties. By employing computational methods, he aims to accelerate alloying and doping decisions by identifying optimal alloy combinations, compositions, and suitable dopants, along with their effects on functional properties. This research has implications for the development of advanced materials for energy storage and conversion, as well as next-generation microelectronics.

Dr. Gorai tackles the challenge of exploring vast chemical spaces that cannot be typically surveyed with first-principles methods. He utilizes state-of-the-art data-driven methods, including convolutional neural networks and attention networks, to explore and design materials in these large chemical spaces. His work aims to address the difficulties in "inverse design," which involves creating stable materials with specific sets of properties — considered the holy grail in materials and molecule design.

Dr. Gorai's specific research areas include ferroelectrics, solid-state batteries, thermoelectrics, photovoltaics, and power electronic materials. His recent works have focused on the discovery of a new class of tetrahedral ferroelectrics for enabling the next generation of energy-efficient computing and storage platforms. He is working on fundamentally new ways of increasing ionic conductivity of solid electrolytes used in solid-state batteries, to make them competitive and replace the current Li-ion technology that poses safety and energy-density issues. In the area of environmental sustainability, he is using computational tools to discover new earth-abundant, non-toxic, inexpensive electrode materials for electrochemical degradation of synthetic organic molecules (PFAS) that are water contaminants and linked to long-term health risks. 

The 3D Materials Lab is currently seeking talented graduate students and postdoctoral researchers to join its team. If you are interested in learning more about the lab, please visit our website or contact Dr. Gorai directly.

Contact:

Dr. Prashun Gorai

goraip@rpi.edu

www.prashungorai.org