Khagendra Baral

5PUBLICATIONS
8CO-AUTHORS
Transport properties and non-equilibrium processesCrystallographyElemental semiconductorsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Composite and hybrid materials
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Publications (5)

|Nov 20, 2025
Modeling Equilibrium Solid-Liquid Interfaces under Effective Constant Chemical Potential Using Machine Learning Interatomic Potentials.

Ademola Soyemi, Khagendra Baral, Tibor Szilvási

|Mar 06, 2024
Effects of Na/K-Cl Salts on Hydrolysis of Aluminosilicate Glass Using Ab Initio Molecular Dynamics.

Khagendra Baral, Neng Li, Wai-Yim Ching

|Apr 23, 2022
First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals.

Sahib Hasan, Saro San, Khagendra Baral

|Oct 13, 2021
Solvent Effect on the Structure and Properties of RGD Peptide (1FUV) at Body Temperature (310 K) Using Ab Initio Molecular Dynamics.

Khagendra Baral, Puja Adhikari, Bahaa Jawad

|Nov 12, 2019
Interfacial Interaction between Suolunite Crystal and Silica Binding Peptide for Novel Bioinspired Cement.

Wai-Yim Ching, Lokendra Poudel, Saro San

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Frequent Collaborators

4 joint publications

Wai-Yim Ching

2 joint publications

Saro San

2 joint publications

Neng Li

1 joint publications

Lokendra Poudel