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Refining potential energy surface through dynamical properties via differentiable molecular simulation
B Han, K Yu - Nature Communications, 2025 - nature.com
Recently, machine learning potential (MLP) largely enhances the reliability of molecular
dynamics, but its accuracy is limited by the underlying ab initio methods. A viable approach …
dynamics, but its accuracy is limited by the underlying ab initio methods. A viable approach …
DiffGLE: Differentiable Coarse-Grained Dynamics using Generalized Langevin Equation
Capturing the correct dynamics at the Coarse-Grained (CG) scale remains a central
challenge in the advancement of systematic CG models for soft matter simulations. The …
challenge in the advancement of systematic CG models for soft matter simulations. The …
Fully Differentiable Boundary Element Solver for Hydrodynamic Sensitivity Analysis of Wave-Structure Interactions
Accurately predicting wave-structure interactions is critical for the effective design and
analysis of marine structures. This is typically achieved using solvers that employ the …
analysis of marine structures. This is typically achieved using solvers that employ the …
Shem: A Hardware-Aware Optimization Framework for Analog Computing Systems
As the demand for efficient data processing escalates, reconfigurable analog hardware
which implements novel analog compute paradigms, is promising for energy-efficient …
which implements novel analog compute paradigms, is promising for energy-efficient …
Neural ordinary differential equations e le loro applicazioni
M Pasqualotto - amslaurea.unibo.it
L'elaborato propone una breve introduzione alle neural ordinary differential equations. Esso
si compone di un'introduzione ai feedforward neural networks, passando per la definizione …
si compone di un'introduzione ai feedforward neural networks, passando per la definizione …