The uniform electron gas at warm dense matter conditions
Motivated by the current high interest in the field of warm dense matter research, in this
article we review the uniform electron gas (UEG) at finite temperature and over a broad …
article we review the uniform electron gas (UEG) at finite temperature and over a broad …
Ab initio solution of the many-electron Schrödinger equation with deep neural networks
Given access to accurate solutions of the many-electron Schrödinger equation, nearly all
chemistry could be derived from first principles. Exact wave functions of interesting chemical …
chemistry could be derived from first principles. Exact wave functions of interesting chemical …
Empowering deep neural quantum states through efficient optimization
Computing the ground state of interacting quantum matter is a long-standing challenge,
especially for complex two-dimensional systems. Recent developments have highlighted the …
especially for complex two-dimensional systems. Recent developments have highlighted the …
Quantum computing for chemistry and physics applications from a Monte Carlo perspective
G Mazzola - The Journal of Chemical Physics, 2024 - pubs.aip.org
This Perspective focuses on the several overlaps between quantum algorithms and Monte
Carlo methods in the domains of physics and chemistry. We will analyze the challenges and …
Carlo methods in the domains of physics and chemistry. We will analyze the challenges and …
Geometry of learning neural quantum states
Combining insights from machine learning and quantum Monte Carlo, the stochastic
reconfiguration method with neural network Ansatz states is a promising new direction for …
reconfiguration method with neural network Ansatz states is a promising new direction for …
Understanding dense hydrogen at planetary conditions
Materials at high pressures and temperatures are of great interest for planetary science and
astrophysics, warm dense-matter physics and inertial confinement fusion research …
astrophysics, warm dense-matter physics and inertial confinement fusion research …
Microcanonical and finite-temperature ab initio molecular dynamics simulations on quantum computers
Ab initio molecular dynamics (AIMD) is a powerful tool to predict properties of molecular and
condensed matter systems. However, the quality of this procedure relies on the availability of …
condensed matter systems. However, the quality of this procedure relies on the availability of …
Generalized quasiharmonic approximation via space group irreducible derivatives
The quasiharmonic approximation (QHA) is the simplest nontrivial approximation for
interacting phonons under constant pressure, bringing the effects of anharmonicity into …
interacting phonons under constant pressure, bringing the effects of anharmonicity into …
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the
earth, the prediction of its properties by high-level ab initio molecular dynamics simulations …
earth, the prediction of its properties by high-level ab initio molecular dynamics simulations …
Optimizing Variational Quantum Algorithms with qBang: Efficiently Interweaving Metric and Momentum to Navigate Flat Energy Landscapes
Variational quantum algorithms (VQAs) represent a promising approach to utilizing current
quantum computing infrastructures. VQAs are based on a parameterized quantum circuit …
quantum computing infrastructures. VQAs are based on a parameterized quantum circuit …