Chemistry Simulation and Materials
2025 · 42 papers
A Transferable Machine Learning Approach to Predict Quantum Circuit Parameters for Electronic Structure Problems
2025Bincoletto et al.
Chemistry Simulation and Materials
Accelerated VQE Parameter Recycling for Similar Recurring Problem Instances
2025Rohe et al.
Chemistry Simulation and Materials
Accelerating Parameter Initialization in Quantum Chemical Simulations via LSTM-FC-VQE
2025Change et al.
Chemistry Simulation and Materials
Achieving High-Quality Portfolio Optimization with the Variational Quantum Eigensolver
2025Wang et al.
Chemistry Simulation and Materials
An Introduction to Variational Quantum Eigensolver Applied to Chemistry
2025Fonseca et al.
Chemistry Simulation and Materials
Bridging Quantum Chemistry and MaxCut Classical Performance Guarantees and Quantum Algorithms for the Hartree-Fock Method
2025Ralli et al.
Chemistry Simulation and Materials
Bridging Quantum and Classical Computing in Drug Design Architecture Principles for Improved Molecule Generation
2025Smith, Guven
Chemistry Simulation and Materials
Critical point search and linear response theory for computing electronic excitation energies of molecular systems. Part I General framework application t
2025Grazioli, Hu, Cancès
Chemistry Simulation and Materials
Designing lattice proteins with variational quantum algorithms
2025Linn et al.
Chemistry Simulation and Materials
Distributed Implementation of Variational Quantum Eigensolver to Solve QUBO Problems
2025Hasanzadeh, Kargarian
Chemistry Simulation and Materials
Efficient Quantum Information-Inspired Ansatz for Variational Quantum Eigensolver Algorithm Applications to Atomic Systems
2025Kalam et al.
Chemistry Simulation and Materials
Encoding molecular structures in quantum machine learning
2025Boy et al.
Chemistry Simulation and Materials
Galvão et al. 2025Variational quantum computing for quantum simulation principles implementations and challenges
2025Unknown
Chemistry Simulation and Materials
HOPSO A Robust Classical Optimizer for VQE
2025Ahamed Mohammad, Chernyak, Plesch
Chemistry Simulation and Materials
Hamiltonian Learning at Heisenberg Limit for Hybrid Quantum Systems
2025Zhang et al.
Chemistry Simulation and Materials
Hierarchical quantum embedding by machine learning for large molecular assemblies
2025Bensberg et al.
Chemistry Simulation and Materials
Hybrid tensor network and neural network quantum states for quantum chemistry
2025Wu et al.
Chemistry Simulation and Materials
Large-scale Efficient Molecule Geometry Optimization with Hybrid Quantum-Classical Computing
2025Hao et al.
Chemistry Simulation and Materials
Learning complexity of many-body quantum sign structures through the lens of Boolean Fourier analysis
2025Schurov et al.
Chemistry Simulation and Materials
Limitations of Quantum Hardware for Molecular Energy Estimation Using VQE
2025Carreras, Casanova, Orús
Chemistry Simulation and Materials
MolQAE Quantum Autoencoder for Molecular Representation Learning
2025Pan et al.
Chemistry Simulation and Materials
Molecular Quantum Transformer
2025Kamata et al.
Chemistry Simulation and Materials
Multiclass Portfolio Optimization via Variational Quantum Eigensolver with Dicke State Ansatz
2025Scursulim et al.
Chemistry Simulation and Materials
Noise-resistant adaptive Hamiltonian learning
2025Wang
Chemistry Simulation and Materials
Optimizing Machine Learning Potentials for Hydroxide Transport Surprising Efficiency of Single-Concentration Training
2025Hänseroth, Dreßler
Chemistry Simulation and Materials
Parametrized Quantum Circuit Learning for Quantum Chemical Applications
2025Jones et al.
Chemistry Simulation and Materials
Probabilistic Quantum SVM Training on Ising Machine
2025He, Xiao
Chemistry Simulation and Materials
Q2SAR A Quantum Multiple Kernel Learning Approach for Drug Discovery
2025Giraldo et al.
Chemistry Simulation and Materials
Qracle A Graph-Neural-Network-based Parameter Initializer for Variational Quantum Eigensolvers
2025Zhang, Jiang, Chen
Chemistry Simulation and Materials
Quantum Approximate Optimization Algorithms for Molecular Docking
2025Papalitsas et al.
Chemistry Simulation and Materials
Quantum Machine Learning in Precision Medicine and Drug Discovery — A Game Changer for Tailored Treatments
2025Berti et al.
Chemistry Simulation and Materials
Quantum Machine Learning of Molecular Energies with Hybrid Quantum-Neural Wavefunction
2025Li et al.
Chemistry Simulation and Materials
Quantum Measurement for Quantum Chemistry on a Quantum Computer
2025Patel et al.
Chemistry Simulation and Materials
Quantum Phases Classification Using Quantum Machine Learning with SHAP-Driven Feature Selection
2025Franco et al.
Chemistry Simulation and Materials
Quantum Simulation and Optimization of Water Distribution Networks
2025Romero Rocha et al.
Chemistry Simulation and Materials
Quantum neural ordinary and partial differential equations
2025Cao, Jin, Liu
Chemistry Simulation and Materials
Scaling Quantum Simulation-Based Optimization Demonstrating Efficient Power Grid Management with Deep QAOA Circuits
2025Adler, Stein, Lachner
Chemistry Simulation and Materials
Truncated Variational Hamiltonian Ansatz efficient quantum circuit design for quantum chemistry and material science
2025Possel et al.
Chemistry Simulation and Materials
Universal quantum phase classification on quantum computers from machine learning
2025Ye et al.
Chemistry Simulation and Materials
Variational Quantum Annealing for Quantum Chemistry
2025Yip, Yeter-Aydeniz, Dong
Chemistry Simulation and Materials
Variational Quantum Eigensolver for Real-World Finance Scalable Solutions for Dynamic Portfolio Optimization Problems
2025De León et al.
Chemistry Simulation and Materials
Wang Gong Pei Quantum and Hybrid Machine-Learning Models for Materials-Science Tasks
2025Unknown
Chemistry Simulation and Materials