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Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps

Computational materials science, 2020-04, Vol.175, p.109584, Article 109584

2020

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Atomistic modeling of idealized equal channel angular pressing process

Journal of materials science, 2024-04, Vol.59 (14), p.6097-6114

Prakash, Aruna

2024

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Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ ' Microstructures

Materials, 2017-01, Vol.10 (1), p.88-88

2017

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Mix-and-Match Proteomics: Using Advanced Iodoacetyl Tandem Mass Tag Multiplexing To Investigate Cysteine Oxidation Changes with Respect to Protein Expression

Analytical chemistry (Washington), 2018-12, Vol.90 (24), p.14173-14180

2018

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OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations

SoftwareX, 2021-07, Vol.15, p.100708, Article 100708

2021

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Automated Analysis of Continuum Fields from Atomistic Simulations Using Statistical Machine Learning

Advanced engineering materials, 2022-12, Vol.24 (12), p.n/a

2022

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Paclobutrazol Arrests Vegetative Growth and Unveils Unexpressed Yield Potential of Jatropha curcas

Journal of plant growth regulation, 2010-09, Vol.29 (3), p.307-315

2010

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Lysis of membrane lipids promoted by small organic molecules: Reactivity depends on structure but not lipophilicity

Science advances, 2020-04, Vol.6 (17), p.eaaz8598

2020

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Characterisation of phosphorylated nucleotides by collisional and electron-based tandem mass spectrometry

Rapid communications in mass spectrometry, 2016-10, Vol.30 (19), p.2155-2163

2016

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Development of Jatropha hybrids with enhanced growth, yield and oil attributes suitable for semi-arid wastelands

Agroforestry systems, 2016-06, Vol.90 (3), p.541-553

2016

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Electron-Induced Dissociation of Singly Charged Organic Cations as a Tool for Structural Characterization of Pharmaceutical Type Molecules

Analytical chemistry (Washington), 2011-06, Vol.83 (11), p.4068-4075

2011

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Non-leaching, Highly Biocompatible Nanocellulose Surfaces That Efficiently Resist Fouling by Bacteria in an Artificial Dermis Model

ACS applied bio materials, 2020-07, Vol.3 (7), p.4095-4108

2020

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Using Electron Induced Dissociation (EID) on an LC Time-Scale to Characterize a Mixture of Analogous Small Organic Molecules

Journal of the American Society for Mass Spectrometry, 2012-05, Vol.23 (5), p.850-857

2012

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Origins of strengthening and failure in twinned Au nanowires: Insights from in−situ experiments and atomistic simulations

Acta materialia, 2020-04, Vol.187, p.166-175

2020

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On solution mapping and remeshing in crystal plasticity finite element simulations: application to equal channel angular pressing

Modelling and simulation in materials science and engineering, 2019-10, Vol.27 (7), p.75001

2019

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The origin of deformation induced topological anisotropy in silica glass

Acta materialia, 2023-09, Vol.257, p.119108, Article 119108

2023

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Atomistic Simulations of Compression Tests on γ-Precipitate Containing Ni3Al Nanocubes

Metallurgical and materials transactions. A, Physical metallurgy and materials science, 2018-09, Vol.49 (9), p.4158-4166

2018

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Origins of strengthening and failure in twinned Au nanowires: Insights from i n − s i t u experiments and atomistic simulations

Acta materialia, 2020-04, Vol.187, p.166-175

2020

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Atomistic simulations of basal dislocations in Mg interacting with Mg17Al12 precipitates

Materialia, 2019-09, Vol.7, p.100355, Article 100355

2019

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Fatigue Life Optimized Layer Architecture of Ultrafine‐Grained Al–Ti Laminates Under Bending Stresses

Advanced engineering materials, 2022-05, Vol.24 (5), p.n/a

2022

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Unintended Pregnancy Among Low Income Urban Married Women in India

Journal of obstetrics and gynaecology of India, 2012-02, Vol.62 (1), p.52-56

2012

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Trait selection by path and principal component analysis in Jatropha curcas for enhanced oil yield

Industrial crops and products, 2016-08, Vol.86 (C), p.173-179

2016

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Twinning Models in Self-Consistent Texture Simulations of TWIP Steels

Steel research international, 2008-08, Vol.79 (8), p.645-652

2008

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Characterization and Diagnosis of Cancer by Native Fluorescence Spectroscopy of Human Urine

Photochemistry and photobiology, 2013-03, Vol.89 (2), p.483-491

2013

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Understanding Molecular Complexity in Protein and Peptide-Lipid Systems

Biophysical journal, 2015-01, Vol.108 (2), p.552a-552a

2015

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Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps

Atomistic modeling of idealized equal channel angular pressing process

Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ ' Microstructures

Mix-and-Match Proteomics: Using Advanced Iodoacetyl Tandem Mass Tag Multiplexing To Investigate Cysteine Oxidation Changes with Respect to Protein Expression

OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations

Automated Analysis of Continuum Fields from Atomistic Simulations Using Statistical Machine Learning

Paclobutrazol Arrests Vegetative Growth and Unveils Unexpressed Yield Potential of Jatropha curcas

Lysis of membrane lipids promoted by small organic molecules: Reactivity depends on structure but not lipophilicity

Characterisation of phosphorylated nucleotides by collisional and electron-based tandem mass spectrometry

Development of Jatropha hybrids with enhanced growth, yield and oil attributes suitable for semi-arid wastelands

Electron-Induced Dissociation of Singly Charged Organic Cations as a Tool for Structural Characterization of Pharmaceutical Type Molecules

Non-leaching, Highly Biocompatible Nanocellulose Surfaces That Efficiently Resist Fouling by Bacteria in an Artificial Dermis Model

Using Electron Induced Dissociation (EID) on an LC Time-Scale to Characterize a Mixture of Analogous Small Organic Molecules

Origins of strengthening and failure in twinned Au nanowires: Insights from in−situ experiments and atomistic simulations

On solution mapping and remeshing in crystal plasticity finite element simulations: application to equal channel angular pressing

The origin of deformation induced topological anisotropy in silica glass

Atomistic Simulations of Compression Tests on γ-Precipitate Containing Ni3Al Nanocubes

Origins of strengthening and failure in twinned Au nanowires: Insights from i n − s i t u experiments and atomistic simulations

Atomistic simulations of basal dislocations in Mg interacting with Mg17Al12 precipitates

Fatigue Life Optimized Layer Architecture of Ultrafine‐Grained Al–Ti Laminates Under Bending Stresses

Unintended Pregnancy Among Low Income Urban Married Women in India

Trait selection by path and principal component analysis in Jatropha curcas for enhanced oil yield

Twinning Models in Self-Consistent Texture Simulations of TWIP Steels

Characterization and Diagnosis of Cancer by Native Fluorescence Spectroscopy of Human Urine

Understanding Molecular Complexity in Protein and Peptide-Lipid Systems

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