Chemistry Simulation and Materials

2024 · 30 papers

A general framework for active space embedding methods applications in quantum computing
2024

Battaglia et al.

Chemistry Simulation and Materials
Addressing the Readout Problem in Quantum Differential Equation Algorithms with Quantum Scientific Machine Learning
2024

Williams et al.

Chemistry Simulation and Materials
Analysis of Atom-level pretraining with QM data for Graph Neural Networks Molecular property models
2024

Arjona-Medina, Nugmanov

Chemistry Simulation and Materials
Computational supremacy in quantum simulation
2024

King et al.

Chemistry Simulation and Materials
Dual-Capability Machine Learning Models for Quantum Hamiltonian Parameter Estimation and Dynamics Prediction
2024

An et al.

Chemistry Simulation and Materials
Dynamical simulations of many-body quantum chaos on a quantum computer
2024

Fischer et al.

Chemistry Simulation and Materials
Gomes Lim Wiebe Multivariable QSP and Bosonic Quantum Simulation using Iterated Quantum Signal Processing
2024

Unknown

Chemistry Simulation and Materials
Ground state-based quantum feature maps
2024

Umeano, Kyriienko

Chemistry Simulation and Materials
H-DES a Quantum-Classical Hybrid Differential Equation Solver
2024

Jaffali et al.

Chemistry Simulation and Materials
Hamiltonian Learning in Quantum Field Theories
2024

Ott et al.

Chemistry Simulation and Materials
Hamiltonian Learning using Machine Learning Models Trained with Continuous Measurements
2024

Tucker et al.

Chemistry Simulation and Materials
Hamiltonian Property Testing
2024

Bluhm, Caro, Oufkir

Chemistry Simulation and Materials
Hamiltonian and Liouvillian learning in weakly-dissipative quantum many-body systems
2024

Olsacher et al.

Chemistry Simulation and Materials
Hybrid Tree Tensor Networks for quantum simulation
2024

Schumacher et al.

Chemistry Simulation and Materials
Learning interacting fermionic Hamiltonians at the Heisenberg limit
2024

Mirani, Hayden

Chemistry Simulation and Materials
OnionVQE Optimization Strategy for Ground State Preparation on NISQ Devices
2024

Gratsea et al.

Chemistry Simulation and Materials
Python-Based Quantum Chemistry Calculations with GPU Acceleration
2024

Wu et al.

Chemistry Simulation and Materials
QCDGE database Quantum Chemistry Database with Ground- and Excited-state Properties of 450 Kilo Molecules
2024

Zhu et al.

Chemistry Simulation and Materials
Quantum Machine Learning in Drug Discovery Applications in Academia and Pharmaceutical Industries
2024

Smaldone et al.

Chemistry Simulation and Materials
Quantum circuit model for Hamiltonian simulation via Trotter decomposition
2024

Sarkar Chakraborty Adhikari

Chemistry Simulation and Materials
Quantum molecular docking with quantum-inspired algorithm
2024

Li et al.

Chemistry Simulation and Materials
Quantum simulation for strongly interacting fermions with neutral atoms array towards the simulation of materials of interest
2024

Michel

Chemistry Simulation and Materials
Quantum-Inspired Machine Learning for Molecular Docking
2024

Shu et al.

Chemistry Simulation and Materials
Symmetry-preserved cost functions for variational quantum eigensolver
2024

Akande, Senjean, Saubanere

Chemistry Simulation and Materials
The generative quantum eigensolver GQE and its application for ground state search
2024

Nakaji et al.

Chemistry Simulation and Materials
Time-dependent Hamiltonians and Geometry of Operators Generated by Them
2024

Pal, Pal

Chemistry Simulation and Materials
Towards Efficient Quantum Computing for Quantum Chemistry Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques
2024

Magnusson et al.

Chemistry Simulation and Materials
Towards molecular docking with neutral atoms
2024

Garrigues, Onofre, Bosc-Haddad

Chemistry Simulation and Materials
Uncovering Quantum Many-body Scars with Quantum Machine Learning
2024

Feng et al.

Chemistry Simulation and Materials
Variational quantum eigensolver with linear depth problem-inspired ansatz for solving portfolio optimization in finance
2024

Wang et al.

Chemistry Simulation and Materials