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The Journal of Physical Chemistry Letters
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September 21, 2023
Real-Time Dynamics and Detailed Balance in Ring Polymer Surface Hopping: The Impact of Frustrated Hops
Dil K Limbu, Farnaz A Shakib
Plos One
|
November 6, 2020
Healthcare workers' knowledge, attitude and practices during the COVID-19 pandemic response in a tertiary care hospital of Nepal
Dil K Limbu, Rano M Piryani, Avinash K Sunny
The Journal of Chemical Physics
|
January 3, 2025
h-CMD: An efficient hybrid fast centroid and quasi-centroid molecular dynamics method for the simulation of vibrational spectra
Dil K Limbu, Nathan London, Md Omar Faruque, et al.
The Journal of Physical Chemistry Letters
|
March 5, 2026
Predictive Quantum Vibrational Spectra through Active Learning 4G-NNPs
Md Omar Faruque, Dil K Limbu, Nathan London, et al.
Scientific Reports
|
May 10, 2020
Disorder by design: A data-driven approach to amorphous semiconductors without total-energy functionals
Dil K Limbu, Stephen R Elliott, Raymond Atta-Fynn, et al.
The Journal of Chemical Physics
|
April 1, 2024
DL_POLY Quantum 2.0: A modular general-purpose software for advanced path integral simulations
Nathan London, Dil K Limbu, Mohammad R Momeni, et al.
The Journal of Chemical Physics
|
December 15, 2025
Diagonal Born-Oppenheimer corrections in condensed-phase ring polymer surface hopping
Dil K Limbu, Sandip Bhusal, Diana M Castañeda-Bagatella, et al.
Journal of Chemical Information and Modeling
|
October 9, 2023
Effects of Defects and Presence of Open-Metal Sites on the Structure and Dynamics of Water in Hydrophobic Zeolitic Imidazolate Frameworks
Yuliang Shi, Dil K Limbu, Zeyu Zhang, et al.
The Journal of Physical Chemistry. A
|
April 29, 2025
DL_POLY Quantum 2.1: A Suite of Real-Time Path Integral Methods for the Simulation of Dynamical Properties and Vibrational Spectra
Nathan London, Dil K Limbu, Md Omar Faruque, et al.
ACS Applied Materials & Interfaces
|
February 7, 2023
In Silico High-Throughput Design and Prediction of Structural and Electronic Properties of Low-Dimensional Metal-Organic Frameworks
Zeyu Zhang, Dylan S Valente, Yuliang Shi, et al.
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Search research articles
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Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry Letters
|
September 21, 2023
Real-Time Dynamics and Detailed Balance in Ring Polymer Surface Hopping: The Impact of Frustrated Hops
Dil K Limbu, Farnaz A Shakib
Plos One
|
November 6, 2020
Healthcare workers' knowledge, attitude and practices during the COVID-19 pandemic response in a tertiary care hospital of Nepal
Dil K Limbu, Rano M Piryani, Avinash K Sunny
The Journal of Chemical Physics
|
January 3, 2025
h-CMD: An efficient hybrid fast centroid and quasi-centroid molecular dynamics method for the simulation of vibrational spectra
Dil K Limbu, Nathan London, Md Omar Faruque, et al.
The Journal of Physical Chemistry Letters
|
March 5, 2026
Predictive Quantum Vibrational Spectra through Active Learning 4G-NNPs
Md Omar Faruque, Dil K Limbu, Nathan London, et al.
Scientific Reports
|
May 10, 2020
Disorder by design: A data-driven approach to amorphous semiconductors without total-energy functionals
Dil K Limbu, Stephen R Elliott, Raymond Atta-Fynn, et al.
The Journal of Chemical Physics
|
April 1, 2024
DL_POLY Quantum 2.0: A modular general-purpose software for advanced path integral simulations
Nathan London, Dil K Limbu, Mohammad R Momeni, et al.
The Journal of Chemical Physics
|
December 15, 2025
Diagonal Born-Oppenheimer corrections in condensed-phase ring polymer surface hopping
Dil K Limbu, Sandip Bhusal, Diana M Castañeda-Bagatella, et al.
Journal of Chemical Information and Modeling
|
October 9, 2023
Effects of Defects and Presence of Open-Metal Sites on the Structure and Dynamics of Water in Hydrophobic Zeolitic Imidazolate Frameworks
Yuliang Shi, Dil K Limbu, Zeyu Zhang, et al.
The Journal of Physical Chemistry. A
|
April 29, 2025
DL_POLY Quantum 2.1: A Suite of Real-Time Path Integral Methods for the Simulation of Dynamical Properties and Vibrational Spectra
Nathan London, Dil K Limbu, Md Omar Faruque, et al.
ACS Applied Materials & Interfaces
|
February 7, 2023
In Silico High-Throughput Design and Prediction of Structural and Electronic Properties of Low-Dimensional Metal-Organic Frameworks
Zeyu Zhang, Dylan S Valente, Yuliang Shi, et al.
Page
of 2