Piyush R. Maharana

M.Sc Computational Physics

Central University of Punjab, Punjab, India

November 2021 - June 2023

Courses: Numerical Methods, Electronic Structure Theory, Molecular Dynamics, Density Functional Theory, Atomic and Molecular Spectroscopy

B.Sc Physics

University of Delhi, New Delhi, India

June 2018 - June 2021

Courses: Classical Mechanics, Quantum Mechanics, Electromagnetic Theory, Statistical Mechanics, Nuclear Physics, Mathematical Physics

Retrieval Augmented Generation for extraction of data from scientific literature

Preprint, Nov 2024

Abstract: Using large language models paired with retrieval augmented generation, a dataset of metal hydrides for solid-state hydrogen storage was created. The accuracy obtained was 93% in the cases tested. Thus, we demonstrate a pipeline to create datasets from scientific literature at minimal computational cost and high accuracy.

HyStor: An Experimental Database of Hydrogen Storage Properties

Co-author, May 2024

Abstract: In this work, we introduce the HyStor database, consisting of 1280 metal alloys along with their hydrogen storage capacities (H2 wt%) as a function of absorption temperature. Given the lack of updates in the existing open access HydPark database since 2002, we sourced compositions from recent research articles and various patent documents, resulting in a total of 468 compositions.

Quantum Dynamics of H2 formation on interstellar dust grains

Master's Thesis, Central University of Punjab, India

Advisor - Dr. Kousik Giri, February - June 2023

Abstract: The details of H2 formation in the interstellar medium are still unclear. Using MCTDH the dynamics of the formed H2 molecule on a carbonaceous surface was determined to understand the partitioning of the H2 recombination energy in the collinear Eley-Rideal mechanism. Our results show the introduction of the atoms neighbouring the carbon over which H is chemisorbed into the PES of Coronene C24H12, gives the correct energy partitioning with the nascent H2 taking ∼ 85% of the recombination energy.

This image shows the quantum dynamics simulation of H2 formation on a coronene molecule (C24H12). The bright spots represent areas of high probability density for hydrogen atoms, demonstrating the quantum mechanical behavior of the system during the formation process.

Structure and Kinematics of the Milky Way Galaxy using Atomic Hydrogen

Conference Paper, June 2021

Abstract: Presented this paper based on my undergrad thesis in 3rd International Conference on Recent Advances In Fundamental And Applied Sciences (RAFAS), 25-26 June 2021.

Rotation curve of the Milky Way Galaxy derived from HI observations. The plot shows orbital velocity versus distance from the galactic center, revealing the presence of dark matter through the flat rotation curve at large radii.

Spiral Structure and Dynamics of the Milky Way Galaxy

Undergraduate Thesis, University of Delhi, India

Advisor - Dr. Vandana Batra, January - June 2021

Abstract: The hyper-fine transition of atomic hydrogen produces radiation of ν=1.4 GHz which is used to detect intergalactic HI gas in the Milky Way. An observation was carried out from 20° < l < 220° and −20° < b < 20° in steps of 5° using the remotely operated SALSA-Onsala 2.3m Radio Telescope located at Onsala Space Observatory, Sweden. The Perseus, Local and Outer arms of the Milky Way Galaxy were clearly identified. Using the Tangent Point Method the rotation curve till the solar circle was determined giving a value of Vc(Ro) = 240.16 ± 7.03kms−1.

Face-on view of the Milky Way Galaxy reconstructed from HI observations. The map shows the distribution of neutral hydrogen gas, revealing the spiral arm structure and large-scale features of our galaxy.

Spectral Index of Synchrotron emission of Crab Nebula

University of Delhi, India

Advisor - Dr. Vandana Batra, September 2020

Abstract: Using archival flux density data ranging from radio to optical from different observations, the spectral index of the nebula in the different electromagnetic regimes was determined.

IIIT Hyderabad - 8th Summer School on AI

July 2024

Research training event aiming at equipping participants with the relevant advances in the critical and fast developing area of artificial intelligence.

UCL - Future of Materials Discovery Workshop

June 2024

Workshop on AI and machine learning in the physical sciences.

LLM Hackathon for Applications in Materials and Chemistry

May 2024

Teamed up with the University of Liverpool to apply LLMs to improve property prediction for chemical compositions.

IISER Pune - Natural Language Processing

January - May 2024

Attended this semester course on NLP.

CDAC - Quantum Accelerated Computing

December 2023

Attended lectures and hands-on session on Quantum Computing.

IUCAA - Introductory Summer School in Astronomy and Astrophysics

May - June 2021

Attended lectures on various different topics in astrophysics.

RAD @ Home

June 2021

Learned how to make images using the data collected by GMRT and other telescopes and understand UV-optical-IR-radio (RGB-C) images of galaxies to classify galaxies into different subtypes.

Volunteering

August 2023 - Present

I teach kids and distribute surplus food to those in need as part of the NGO Robin Hood Army.

Astronomy Club

2018 - 2022

Searching for suspected comets visible in SOHO/LASCO satellite images by participating in the Sungrazer project and taking part in astronomical observations and workshops and lectures on astrophysics and programming at Nehru planetarium.

International Asteroid Search Campaign

April - May 2018

Two provisional asteroid discoveries recorded.

Supernova Hunters

2017 - 2019

Discovered supernovas in Pan-STARRS1 data as part of a citizen science project.