Jigyasa Nigam

Official source

https://people.epfl.ch/jigyasa.nigam

About this result

This page is automatically generated and may contain information that is not correct, complete, up-to-date, or relevant to your search query. The same applies to every other page on this website. Please make sure to verify the information with EPFL's official sources.

About
Privacy
Disclaimer

Graph Chatbot

Official source

https://people.epfl.ch/jigyasa.nigam

About this result

Related units (1)

Related publications (11)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Related units (1)

Laboratory of Computational Science and Modelling

EPFL
STI
IMX
COSMO

Related publications (11)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Exploring the Design Space of Machine Learning Models for Quantum Chemistry with a Fully Differentiable Framework

Michele Ceriotti, Jigyasa Nigam

American Chemical Society (ACS)2025

Completeness of Atomic Structure Representations

Michele Ceriotti, Sergey Pozdnyakov, Jigyasa Nigam, Kevin Kazuki Huguenin-Dumittan

In this paper, we address the challenge of obtaining a comprehensive and symmetric representation of point particle groups, such as atoms in a molecule, which is crucial in physics and theoretical chemistry. The problem has become even more important with ...

AIP Publishing2024

Electronic Excited States from Physically Constrained Machine Learning

Michele Ceriotti, Jigyasa Nigam

Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or combined explicitly w ...

2024