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The Journal of Physical Chemistry. A
|
November 20, 2025
Modeling Equilibrium Solid-Liquid Interfaces under Effective Constant Chemical Potential Using Machine Learning Interatomic Potentials
Ademola Soyemi, Khagendra Baral, Tibor Szilvási
The Journal of Physical Chemistry. B
|
March 6, 2024
Effects of Na/K-Cl Salts on Hydrolysis of Aluminosilicate Glass Using Ab Initio Molecular Dynamics
Khagendra Baral, Neng Li, Wai-Yim Ching
The Journal of Physical Chemistry. A
|
September 21, 2017
Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses
Khagendra Baral, Aize Li, Wai-Yim Ching
The Journal of Physical Chemistry. B
|
August 27, 2020
Ab Initio Study of Hydrolysis Effects in Single and Ion-Exchanged Alkali Aluminosilicate Glasses
Khagendra Baral, Aize Li, Wai-Yim Ching
Scientific Reports
|
May 11, 2021
Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations
Sahib Hasan, Khagendra Baral, Neng Li, et al.
ACS Combinatorial Science
|
November 12, 2019
Interfacial Interaction between Suolunite Crystal and Silica Binding Peptide for Novel Bioinspired Cement
Wai-Yim Ching, Lokendra Poudel, Saro San, et al.
Polymers
|
October 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, et al.
Materials (Basel, Switzerland)
|
April 23, 2022
First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals
Sahib Hasan, Saro San, Khagendra Baral, et al.
ACS Omega
|
August 9, 2021
Temperature-Dependent Properties of Molten Li<sub>2</sub>BeF<sub>4</sub> Salt Using <i>Ab Initio</i> Molecular Dynamics
Khagendra Baral, Saro San, Ridwan Sakidja, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
November 20, 2025
Modeling Equilibrium Solid-Liquid Interfaces under Effective Constant Chemical Potential Using Machine Learning Interatomic Potentials
Ademola Soyemi, Khagendra Baral, Tibor Szilvási
The Journal of Physical Chemistry. B
|
March 6, 2024
Effects of Na/K-Cl Salts on Hydrolysis of Aluminosilicate Glass Using Ab Initio Molecular Dynamics
Khagendra Baral, Neng Li, Wai-Yim Ching
The Journal of Physical Chemistry. A
|
September 21, 2017
Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses
Khagendra Baral, Aize Li, Wai-Yim Ching
The Journal of Physical Chemistry. B
|
August 27, 2020
Ab Initio Study of Hydrolysis Effects in Single and Ion-Exchanged Alkali Aluminosilicate Glasses
Khagendra Baral, Aize Li, Wai-Yim Ching
Scientific Reports
|
May 11, 2021
Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations
Sahib Hasan, Khagendra Baral, Neng Li, et al.
ACS Combinatorial Science
|
November 12, 2019
Interfacial Interaction between Suolunite Crystal and Silica Binding Peptide for Novel Bioinspired Cement
Wai-Yim Ching, Lokendra Poudel, Saro San, et al.
Polymers
|
October 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, et al.
Materials (Basel, Switzerland)
|
April 23, 2022
First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals
Sahib Hasan, Saro San, Khagendra Baral, et al.
ACS Omega
|
August 9, 2021
Temperature-Dependent Properties of Molten Li<sub>2</sub>BeF<sub>4</sub> Salt Using <i>Ab Initio</i> Molecular Dynamics
Khagendra Baral, Saro San, Ridwan Sakidja, et al.
Page
of 1