Lv11
40 积分 2024-02-06 加入
Hamiltonian Grid-Based QM/MM Method with Mean-Field Embedding for Simulating Arbitrary Slab Geometries
1小时前
待确认
QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations
2天前
已完结
NepoIP/MM: Toward Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects
4天前
已完结
Water Dimer under Electric Fields: An Ab Initio Investigation up to Quantum Accuracy
13天前
已完结
Simulations of dielectric permittivity of water by machine learned potentials with long-range Coulombic interactions
28天前
已完结
Atomic Resolution of Solid–Electrolyte Interphase Formation via Off-Lattice On-the-Fly Kinetic Monte Carlo
29天前
已完结
Learning Pairwise Interaction for Extrapolative and Interpretable Machine Learning Interatomic Potentials with Physics-Informed Neural Network
1个月前
已完结
Molecular Dynamics Simulation Study of a Polysulfone-Based Anion Exchange Membrane in Comparison with the Proton Exchange Membrane
1个月前
已完结
Machine Learning Potential for Electrochemical Interfaces with Hybrid Representation of Dielectric Response
1个月前
已完结
Composition and Structure of the solid electrolyte interphase on Na-Ion Anodes Revealed by Exo- and Endogenous Dynamic Nuclear Polarization─NMR Spectroscopy
1个月前
已完结
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