112 citations · 633 across the 32 of their papers we have counts for
33 papers
Augmenting Imaginary-Time Evolution with Local Geometric Information
Carlos L. Benavides-Riveros, Prachi Sharma, Fedor Šimkovic +1
Imaginary-time evolution (ITE) underpins a broad family of algorithms for ground-state preparation in quantum simulation and quantum many-body physics. In these methods, convergenc…
Reinforcement Learning Assisted Quantum Simulation of Many-Body Excited States and Real-Time Dynamics
Jiaji Zhang, Lipeng Chen, Carlos L. Benavides-Riveros
The computation of electronic excited states and real-time quantum dynamics of many-fermion systems is among the most promising applications of near-term quantum computing. In this…
Neural Network Solution of Non-Markovian Quantum State Diffusion and Operator Construction of Quantum Stochastic Process
Jiaji Zhang, Carlos L. Benavides-Riveros, Lipeng Chen
Non-Markovian quantum state diffusion provides a wavefunction-based framework for modeling open quantum systems. In this work, we introduce a novel machine learning approach based…
Simulating Quantum Many-Body States with Neural-Network Exponential Ansatz
Weillei Zeng, Jiaji Zhang, Lipeng Chen +1
Preparing quantum many-body states on classical or quantum devices is a very challenging task that requires accounting for exponentially large Hilbert spaces. Although this complex…
Neural Quantum Propagators for Driven-Dissipative Quantum Dynamics
Jiaji Zhang, Carlos L. Benavides-Riveros, Lipeng Chen
Describing the dynamics of strong-laser driven open quantum systems is a very challenging task that requires the solution of highly involved equations of motion. While machine lear…
Exact Ansatz of Fermion-Boson Systems for a Quantum Device
Samuel Warren, Yuchen Wang, Carlos L. Benavides-Riveros +1
We present an exact ansatz for the eigenstate problem of mixed fermion-boson systems that can be implemented on quantum devices. Based on a generalization of the electronic contrac…
Artificial-intelligence-based surrogate solution of dissipative quantum dynamics: physics-informed reconstruction of the universal propagator
Jiaji Zhang, Carlos L. Benavides-Riveros, Lipeng Chen
The accurate (or even approximate) solution of the equations that govern the dynamics of dissipative quantum systems remains a challenging task for quantum science. While several a…
Quantum simulation of excited states from parallel contracted quantum eigensolvers
Carlos L. Benavides-Riveros, Yuchen Wang, Samuel Warren +1
Computing excited-state properties of molecules and solids is considered one of the most important near-term applications of quantum computers. While many of the current excited-st…
Extracting Many-Body Quantum Resources within One-Body Reduced Density Matrix Functional Theory
Carlos L. Benavides-Riveros, Tomasz Wasak, Alessio Recati
Quantum Fisher information (QFI) is a central concept in quantum sciences used to quantify the ultimate precision limit of parameter estimation, detect quantum phase transitions, w…
Refining the weighted subspace-search variational quantum eigensolver: compression of ansätze into a single pure state and optimization of weights
Cheng-Lin Hong, Luis Colmenarez, Lexin Ding +2
The weighted subspace-search variational quantum eigensolver (SSVQE) is a prominent algorithm for calculating excited-state properties of molecular quantum systems. In this work, w…
Orbital-Free Quasi-Density Functional Theory
Carlos L. Benavides-Riveros
Wigner functions are broadly used to probe non-classical effects in the macroscopic world. Here we develop an orbital-free functional framework to compute the 1-body Wigner quasi-p…
Homogeneous Electron Liquid in Arbitrary Dimensions: Exchange and Correlation Using the Singwi-Tosi-Land-Sjölander Approach
L. V. Duc Pham, Pascal Sattler, Miguel A. L. Marques +1
The ground states of the homogeneous electron gas and the homogeneous electron liquid are cornerstones in quantum physics and chemistry. They are archetypal systems in the regime o…
Excitations of Quantum Many-Body Systems via Purified Ensembles: A Unitary-Coupled-Cluster-based Approach
Carlos L. Benavides-Riveros, Lipeng Chen, Christian Schilling +2
State-average calculations based on mixture of states are increasingly being exploited across chemistry and physics as versatile procedures for addressing excitations of quantum ma…
Machine learning the derivative discontinuity of density-functional theory
Johannes Gedeon, Jonathan Schmidt, Matthew J. P. Hodgson +3
Machine learning is a powerful tool to design accurate, highly non-local, exchange-correlation functionals for density functional theory. So far, most of those machine learned func…
Machine Learning Universal Bosonic Functionals
Jonathan Schmidt, Matteo Fadel, Carlos L. Benavides-Riveros
The one-body reduced density matrix plays a fundamental role in describing and predicting quantum features of bosonic systems, such as Bose-Einstein condensation. The recently…
Homogeneous electron gas in arbitrary dimensions
Robert Schlesier, Carlos L. Benavides-Riveros, Miguel A. L. Marques
The homogeneous electron gas is one of the most studied model systems in condensed matter physics. It is also at the basis of the large majority of approximations to the functional…
Reduced Density Matrix Functional Theory for Bosons
Carlos L. Benavides-Riveros, Jakob Wolff, Miguel A. L. Marques +1
Based on a generalization of Hohenberg-Kohn's theorem, we propose a ground state theory for bosonic quantum systems. Since it involves the one-particle reduced density matrix a…
Implications of pinned occupation numbers for natural orbital expansions. I: Generalizing the concept of active spaces
Christian Schilling, Carlos L. Benavides-Riveros, Alexandre Lopes +2
The concept of active spaces simplifies the description of interacting quantum many-body systems by restricting to a neighbourhood of active orbitals around the Fermi level. The re…
Machine Learning the Physical Non-Local Exchange-Correlation Functional of Density-Functional Theory
Jonathan Schmidt, Carlos L. Benavides-Riveros, Miguel A. L. Marques
We train a neural network as the universal exchange-correlation functional of density-functional theory that simultaneously reproduces both the exact exchange-correlation energy an…
Reduced Density Matrix Functional Theory for Superconductors
Jonathan Schmidt, Carlos L. Benavides-Riveros, Miguel A. L. Marques
We present an \textit{ab initio} theory for superconductors, based on a unique mapping between the statistical density operator at equilibrium, on the one hand, and the correspondi…
On the time evolution of fermionic occupation numbers
Carlos L. Benavides-Riveros, Miguel A. L. Marques
We derive an equation for the time evolution of the natural occupation numbers for fermionic systems with more than two electrons. The evolution of such numbers is connected with t…
Static correlated functionals for reduced density matrix functional theory
Carlos L. Benavides-Riveros, Miguel A. L. Marques
Based on recent progress on fermionic exchange symmetry we propose a way to develop new functionals for reduced density matrix functional theory. For some settings with an odd numb…
A representability problem in density functional theory for superconductors
Jonathan Schmidt, Carlos L. Benavides-Riveros, Miguel A. L. Marques
Aiming at a unified treatment of correlation and inhomogeneity effects in superconductors, Oliveira, Gross and Kohn proposed in 1988 a density functional theory for the superconduc…
Natural Extension of Hartree-Fock through extremal -fermion information: Overview and application to the lithium atom
Carlos L. Benavides-Riveros, Christian Schilling
Fermionic natural occupation numbers do not only obey Pauli's exclusion principle but are even stronger restricted by so-called generalized Pauli constraints. Whenever given natura…