Saved in:
| Main Authors: | Ramkumar, Kaanapuli, Mishra, Swati Swagatika, Bhattacharjee, Sudeep |
|---|---|
| Format: | Preprint |
| Published: |
2022
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2211.05154 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Evaluating ion dynamics through Coulomb and Yukawa interaction potentials in one component strongly coupled plasmas
by: Mishra, Swati Swagatika, et al.
Published: (2024)
by: Mishra, Swati Swagatika, et al.
Published: (2024)
Chemistry in a Cryogenic Buffer Gas Cell
by: Sun, Qi, et al.
Published: (2025)
by: Sun, Qi, et al.
Published: (2025)
The Effect of Grain Size Distribution on the Defect Generation Mechanism of 0201 Passives
by: Patra, Swagatika, et al.
Published: (2024)
by: Patra, Swagatika, et al.
Published: (2024)
Effect of Dispersity on Dynamic Properties of Polymer Melts: Insights from Coarse-Grained Molecular Dynamics Simulations
by: Tejuosho, Taofeek, et al.
Published: (2024)
by: Tejuosho, Taofeek, et al.
Published: (2024)
Refining Potential Energy Surface through Dynamical Properties via Differentiable Molecular Simulation
by: Han, Bin, et al.
Published: (2024)
by: Han, Bin, et al.
Published: (2024)
Performing Path Integral Molecular Dynamics Using Artificial Intelligence Enhanced Molecular Simulation Framework
by: Fan, Cheng, et al.
Published: (2025)
by: Fan, Cheng, et al.
Published: (2025)
Rotational Excitation of Vinyl Cyanide by Collisions with Helium Atoms at Low Temperature
by: Sogomonyan, Karina, et al.
Published: (2025)
by: Sogomonyan, Karina, et al.
Published: (2025)
Renormalization of Scalar and Fermion Interacting Field Theory for Arbitrary Loop: Heat-Kernel Approach
by: Banerjee, Upalaparna, et al.
Published: (2024)
by: Banerjee, Upalaparna, et al.
Published: (2024)
Cryogenic W-band Electron Spin Resonance Probehead with an Integral Cryogenic Low Noise Amplifier
by: Jbara, Moamen, et al.
Published: (2024)
by: Jbara, Moamen, et al.
Published: (2024)
Using the Haken-Strobl-Reineker Model to Determine the Temperature Dependence of the Diffusion Coefficient
by: Barford, William
Published: (2024)
by: Barford, William
Published: (2024)
Molecular Transport
by: Camarasa-Gómez, María, et al.
Published: (2024)
by: Camarasa-Gómez, María, et al.
Published: (2024)
Multi-Scale Molecular Dynamics Simulations
by: Boussinot, Frédéric
Published: (2024)
by: Boussinot, Frédéric
Published: (2024)
Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations
by: Raju, Darshan, et al.
Published: (2025)
by: Raju, Darshan, et al.
Published: (2025)
Boltzmann Thermometry at Cryogenic Temperatures Exploiting Stark Sublevels in Er$^{3+}$/Yb$^{3+}$-Codoped Yttrium Oxide Nanoparticles
by: Possmayer, Thomas, et al.
Published: (2025)
by: Possmayer, Thomas, et al.
Published: (2025)
Revealing Nanoscale Molecular Organization in Liquid Crystals via Cryogenic Atom Probe Tomography
by: Meng, Kuan, et al.
Published: (2025)
by: Meng, Kuan, et al.
Published: (2025)
Resonant Coupling Between Electromagnetic Waves and Protein Conformational Dynamics Revealed by Molecular Dynamics Simulations
by: Chen, Jiafei, et al.
Published: (2026)
by: Chen, Jiafei, et al.
Published: (2026)
Uncertainty Quantification for Molecular Property Predictions with Graph Neural Architecture Search
by: Jiang, Shengli, et al.
Published: (2023)
by: Jiang, Shengli, et al.
Published: (2023)
Temperature Dependence of Charge and Exciton Transport in One-Dimensional Systems Subject to Static and Dynamic Disorder
by: Barford, William
Published: (2025)
by: Barford, William
Published: (2025)
Simulation of Pump-Push Molecular Dynamics in the Heptazine-H2O Complex
by: Pios, Sebastian V., et al.
Published: (2025)
by: Pios, Sebastian V., et al.
Published: (2025)
Improved Treatment of 1-4 interactions in Force Fields for Molecular Dynamics Simulations
by: Abdullah, Aalim S., et al.
Published: (2025)
by: Abdullah, Aalim S., et al.
Published: (2025)
Electronic Strong Coupling of Gas-Phase Molecular Iodine
by: Nelson, Jane C., et al.
Published: (2026)
by: Nelson, Jane C., et al.
Published: (2026)
A Reverse Non-Equilibrium Molecular Dynamics (RNEMD) Algorithm for Coupled Mass and Heat Transport in Mixtures
by: Drisko, Cody R., et al.
Published: (2024)
by: Drisko, Cody R., et al.
Published: (2024)
Intrinsic Dimensionality of Molecular Properties
by: Banjafar, Ali, et al.
Published: (2025)
by: Banjafar, Ali, et al.
Published: (2025)
Thermodynamic Descriptors from Molecular Dynamics as Machine Learning Features for Extrapolable Property Prediction
by: Espejo, Nuria H., et al.
Published: (2026)
by: Espejo, Nuria H., et al.
Published: (2026)
Ionic Liquid Molecular Dynamics Simulation with Machine Learning Force Fields: DPMD and MACE
by: Park, Anseong, et al.
Published: (2025)
by: Park, Anseong, et al.
Published: (2025)
High-Accuracy Molecular Simulations with Machine-Learning Potentials and Semiclassical Approximations to Quantum Dynamics
by: Andreichev, Valerii, et al.
Published: (2026)
by: Andreichev, Valerii, et al.
Published: (2026)
MiMiC: A High-Performance Framework for Multiscale Molecular Dynamics Simulations
by: Antalík, Andrej, et al.
Published: (2024)
by: Antalík, Andrej, et al.
Published: (2024)
Efficient Quantum Simulation of Non-Adiabatic Molecular Dynamics with Precise Electronic Structure
by: Li, Tianyi, et al.
Published: (2025)
by: Li, Tianyi, et al.
Published: (2025)
Accurate Helium-Benzene Potential: from CCSD(T) to Gaussian Process Regression
by: Akram, Shahzad, et al.
Published: (2026)
by: Akram, Shahzad, et al.
Published: (2026)
Exploring the Electronic and Mechanical Properties of TPDH-Nanotube: Insights from Ab initio and Classical Molecular Dynamics Simulations
by: Quispe, Juan Gomez, et al.
Published: (2024)
by: Quispe, Juan Gomez, et al.
Published: (2024)
Simulating Exciton Transport with Complex Absorbing Potentials
by: Bazile, Dimitri, et al.
Published: (2026)
by: Bazile, Dimitri, et al.
Published: (2026)
Simulating Passage through a Cascade of Conical Intersections with Collapse-to-a-Block Molecular Dynamics
by: Liang, Fangchun, et al.
Published: (2024)
by: Liang, Fangchun, et al.
Published: (2024)
MixPI: Mixed-Time Slicing Path Integral Software for Quantized Molecular Dynamics Simulations
by: Johnson, Britta A., et al.
Published: (2024)
by: Johnson, Britta A., et al.
Published: (2024)
Simulating Electron Transfer in a Molecular Triad within an Optical Cavity Using NISQ Computers
by: Lyu, Ningyi, et al.
Published: (2024)
by: Lyu, Ningyi, et al.
Published: (2024)
Dynamic Simulation of the CO 2 Cryogenic Separation Process
by: Mingzhen Lin, et al.
Published: (2026)
by: Mingzhen Lin, et al.
Published: (2026)
Artificial Thermalization in Ring-Polymer Molecular Dynamics: The Breakdown of RPMD for Gas-Phase Reactions with Pre-Reactive Complexes and How to Fix It
by: Lawrence, Joseph E., et al.
Published: (2025)
by: Lawrence, Joseph E., et al.
Published: (2025)
Performant Automatic Differentiation of Local Coupled Cluster Theories: Response Properties and Ab Initio Molecular Dynamics
by: Zhang, Xing, et al.
Published: (2024)
by: Zhang, Xing, et al.
Published: (2024)
Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation
by: Cattin, Côme, et al.
Published: (2025)
by: Cattin, Côme, et al.
Published: (2025)
Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory
by: Hennefarth, Matthew R., et al.
Published: (2024)
by: Hennefarth, Matthew R., et al.
Published: (2024)
An Automated Framework for Analyzing Structural Evolution in On-the-fly Non-adiabatic Molecular Dynamics Using Autoencoder and Multiple Molecular Descriptors
by: Liu, Hangxu, et al.
Published: (2025)
by: Liu, Hangxu, et al.
Published: (2025)
Similar Items
-
Evaluating ion dynamics through Coulomb and Yukawa interaction potentials in one component strongly coupled plasmas
by: Mishra, Swati Swagatika, et al.
Published: (2024) -
Chemistry in a Cryogenic Buffer Gas Cell
by: Sun, Qi, et al.
Published: (2025) -
The Effect of Grain Size Distribution on the Defect Generation Mechanism of 0201 Passives
by: Patra, Swagatika, et al.
Published: (2024) -
Effect of Dispersity on Dynamic Properties of Polymer Melts: Insights from Coarse-Grained Molecular Dynamics Simulations
by: Tejuosho, Taofeek, et al.
Published: (2024) -
Refining Potential Energy Surface through Dynamical Properties via Differentiable Molecular Simulation
by: Han, Bin, et al.
Published: (2024)