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Theoretical and Computational Chemistry

Working Paper

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Steven Torrisi, Matthew Carbone, Brian Rohr, Joseph H. Montoya, Yang Ha, Junko Yano, Santosh Suram, Linda Hung

Version 1 posted 20 February 2020

753

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Materials Science

Working Paper

DBgen: A Python Library for Defining Scalable, Maintainable, Accessible, Reconfigurable, Transparent (SMART) Data Pipelines

Michael Statt, Kristopher Brown, Santosh Suram, Linda Hung, Daniel Schweigert, John Gregoire, Brian Rohr

Version 1 posted 30 July 2021

447

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Materials Science

Working Paper

Benchmarking the Acceleration of Materials Discovery by Sequential Learning

Brain Rohr, Helge Stein, Dn Guevarra, Yu Wang, Joel Haber, Muratahan Aykol, Santosh Suram, John Gregoire

Version 1 posted 16 December 2019

653

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Theoretical and Computational Chemistry

Working Paper

Multi-fidelity Sequential Learning for Accelerated Materials Discovery

Aini Palizhati, Muratahan Aykol, Santosh Suram, Jens Strabo Hummelshøj, Joseph H. Montoya

Version 1 posted 29 March 2021

578

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2

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Materials Science

Working Paper

Autonomous laboratories for accelerated materials discovery: a community survey and practical insights

Linda Hung, Joyce Yager, Danielle Monteverde, Dave Baiocchi, Ha-Kyung Kwon, Shijing Sun, Santosh Suram

Version 1 posted 01 March 2024

334

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Materials Science

Working Paper

ESAMP: Event-Sourced Architecture for Materials Provenance Management and Application to Accelerated Materials Discovery

Michael Statt, Brian A. Rohr, Kris S. Brown, Dan Guevarra, Jens Strabo Hummelshøj, Linda Hung, abraham anapolsky, John Gregoire, Santosh Suram

Version 2 posted 10 May 2023

515

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1

Citations

Materials Science

Working Paper

The Materials Experiment Knowledge Graph

Michael Statt, Brian Rohr, Dan Guevarra, Ja'Nya Breeden, Santosh Suram, John Gregoire

Version 1 posted 19 April 2023

415

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Materials Science

Working Paper

A Simple Linear Relation Solves Unphysical DFT Energy Corrections

Brian Rohr, Santosh Suram, Jens Bakander

Version 1 posted 05 November 2024

166

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8 results in Santosh Suram in Authors: Santosh Suram

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

DBgen: A Python Library for Defining Scalable, Maintainable, Accessible, Reconfigurable, Transparent (SMART) Data Pipelines

Benchmarking the Acceleration of Materials Discovery by Sequential Learning

Multi-fidelity Sequential Learning for Accelerated Materials Discovery

Autonomous laboratories for accelerated materials discovery: a community survey and practical insights

ESAMP: Event-Sourced Architecture for Materials Provenance Management and Application to Accelerated Materials Discovery

The Materials Experiment Knowledge Graph

A Simple Linear Relation Solves Unphysical DFT Energy Corrections

8 results in Authors: Santosh Suram