Variational Monte Carlo - Nanotechnology

Relevant Publications

Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface.

Issue Release: 2024

Neural Operator Variational Inference Based on Regularized Stein Discrepancy for Deep Gaussian Processes.

Issue Release: 2024

Variational Monte Carlo Study of the 1/9-Magnetization Plateau in Kagome Antiferromagnets.

Issue Release: 2024

Predicting pressure-dependent rate constants for the furan + OH reactions and their impact under tropospheric conditions.

Issue Release: 2024

Robust T estimation with balanced steady state free precession.

Issue Release: 2024

Quantum computing for chemistry and physics applications from a Monte Carlo perspective.

Issue Release: 2024

Neural-network quantum-state study of the long-range antiferromagnetic Ising chain.

Issue Release: 2024

Nematic Metal in a Multivalley Electron Gas: Variational Monte Carlo Analysis and Application to AlAs.

Issue Release: 2024

Bayesian polynomial neural networks and polynomial neural ordinary differential equations.

Issue Release: 2024

Fluids with power-law repulsion: Hyperuniformity and energy fluctuations.

Issue Release: 2024

Distilling the Essential Elements of Nuclear Binding via Neural-Network Quantum States.

Issue Release: 2024

A modified variational approach to noisy cell signaling.

Issue Release: 2024

Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States.

Issue Release: 2024

Towards a transferable fermionic neural wavefunction for molecules.

Issue Release: 2024

Improved optimization for the neural-network quantum states and tests on the chromium dimer.

Issue Release: 2024

On the Robustness of Bayesian Neural Networks to Adversarial Attacks.

Issue Release: 2024

Robust Inference of Dynamic Covariance Using Wishart Processes and Sequential Monte Carlo.

Issue Release: 2024

Force and stress calculations with a neural-network wave function for solids.

Issue Release: 2024

Neural network variational Monte Carlo for positronic chemistry.

Issue Release: 2024

An Improved Penalty-Based Excited-State Variational Monte Carlo Approach with Deep-Learning Ansatzes.

Issue Release: 2024

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