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20112026
most citedBy-passing the Kohn-Sham equations with machine learning

729 citations

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20 papers · 1 filter

quant-ph2024★ 1 cited

Environment engineering to protect quantum coherence in tripartite systems under dephasing noise

Sovik Roy, Aahaman Kalaiselvan, Chandrashekar Radhakrishnan +1

The practical success of quantum technology hinges on sustaining quantum coherence, which is vulnerable to environmental interactions causing decoherence. We investigate coherence…

cond-mat.dis-nn2024★ 2 cited

Critical Droplets and Replica Symmetry Breaking

C. M. Newman, D. L. Stein

We show that the notion of critical droplets is central to an understanding of the nature of ground states in the Edwards-Anderson Ising model of a spin glass in arbitrary dimensio…

physics.atom-ph2024★ 1 cited

eTraj.jl: Trajectory-Based Simulation for Strong-Field Ionization

Mingyu Zhu, Hongcheng Ni, Jian Wu

The dynamics of light-matter interactions in the realm of strong-field ionization has been a focal point and has attracted widespread interest. We present the eTraj.jl program pack…

physics.chem-ph2024★ 4 cited

Molecular Dynamics and Machine Learning Unlock Possibilities in Beauty Design -- A Perspective

Yuzhi Xu, Haowei Ni, Qinhui Gao +10

Computational molecular design -- the endeavor to design molecules, with various missions, aided by machine learning and molecular dynamics approaches, has been widely applied to c…

math.AP2024

Polynomial mixing for the white-forced Navier-Stokes system in the whole space

Vahagn Nersesyan, Meng Zhao

We study the mixing properties of the white-forced Navier-Stokes system in the whole space . Assuming that the noise is sufficiently non-degenerate, we prove the uniq…

math.RT2024

On modular rigidity for

Nadir Matringe, Alberto Mínguez, Vincent Sécherre

Let be a global field and be its ring of adeles. Let be a prime number and fix a field isomorphism from to . Le…

physics.chem-ph2024★ 33 cited

On the design space between molecular mechanics and machine learning force fields

Yuanqing Wang, Kenichiro Takaba, Michael S. Chen +14

A force field as accurate as quantum mechanics (QM) and as fast as molecular mechanics (MM), with which one can simulate a biomolecular system efficiently enough and meaningfully e…

quant-ph2024★ 5 cited

Magnetic Dipolar Quantum Battery with Spin-Orbit Coupling

Asad Ali, Samira Elghaayda, Saif Al-Kuwari +7

We investigate a magnetic dipolar system influenced by the -component of Zeeman splitting, Dzyaloshinsky--Moriya (DM) interaction, and Kaplan--Shekhtman--Entin-Wohlman--Aharony…

quant-ph2024

Dephasing-Induced Distribution of Entanglement in Tripartite Quantum Systems

Sovik Roy, Md. Manirul Ali, Abhijit Mandal +1

Preserving multipartite entanglement amidst decoherence poses a pivotal challenge in quantum information processing. However, assessing multipartite entanglement in mixed states am…

math.NT2024

Rogers-Ramanujan Type Identities Involving Double Sums

Dandan Chen, Siyu Yin

We prove four new Rogers-Ramanujan-type identities for double series. They follow from the classical Rogers-Ramanujan identities using the constant term method and properties of Ro…

quant-ph2024★ 27 cited

Ergotropy and capacity optimization in Heisenberg spin-chain quantum batteries

Asad Ali, Saif Al-Kuwari, M. I. Hussain +5

This study examines the performance of finite spin quantum batteries (QBs) using Heisenberg spin models with Dzyaloshinsky-Moriya (DM) and Kaplan--Shekhtman--Entin-Wohlman--Aharony…

cond-mat.mtrl-sci2024★ 3 cited

Ferromagnetic polar metals via epitaxial strain: a case study of SrCoO

Zhiwei Liu, Qiuyue Li, Hanghui Chen

While polar metals are a metallic analogue of ferroelectrics, magnetic polar metals can be considered as a metallic analogue of multiferroics. There have been a number of attempts…

cond-mat.dis-nn2024★ 2 cited

Free Energy Difference Fluctuations in Short-Range Spin Glasses

C. M. Newman, D. L. Stein

It is generally believed (but not yet proved) that Ising spin glasses with nearest-neighbor interactions have a phase transition in three and higher dimensions to a low-temperature…

quant-ph2024★ 4 cited

Quantum nondemolition measurement operator with spontaneous emission

Ebubechukwu O. Ilo-Okeke, Tim Byrnes

We present a theory for quantum nondemolition (QND) measurements of an atomic ensemble in the presence of spontaneous emission. We derive the master equation that governs the evolu…

cs.LG2024★ 1 cited

Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose

Michael Kilgour, Mark Tuckerman, Jutta Rogal

Representations are a foundational component of any modelling protocol, including on molecules and molecular solids. For tasks that depend on knowledge of both molecular conformati…

math.SG2024★ 1 cited

Reeb flows, pseudo-holomorphic curves and transverse foliations

Naiara V. de Paulo, Pedro A. S. Salomão

Pseudo-holomorphic curves in symplectizations, as introduced by Hofer in 1993, and then developed by Hofer, Wysocki, and Zehnder, have brought new insights to Hamiltonian dynamics,…

q-bio.NC2024★ 2 cited

Characterizing visual cortical magnification with topological smoothing and optimal transportation

Yujian Xiong, Yanshuai Tu, Zhong-Lin Lu +1

Human vision has different concentration on visual fields. Cortical magnification factor (CMF) is a popular measurement on visual acuity and cortex concentration. In order to achie…

math.AP2024★ 4 cited

Global controllability of Boussinesq flows by using only a temperature control

Vahagn Nersesyan, Manuel Rissel

We show that buoyancy driven flows can be steered in an arbitrary time towards any state by applying as control only an external temperature profile in a subset of small measure. M…

math.OC2024

Exponential mixing of constrained random dynamical systems via controllability conditions

Laurent Mertz, Vahagn Nersesyan, Manuel Rissel

We provide deterministic controllability conditions that imply exponential mixing properties for randomly forced constrained dynamical systems with possibly unbounded state space.…

cond-mat.supr-con2024★ 37 cited

Electronic Structure of Superconducting Infinite-Layer Lanthanum Nickelates

Wenjie Sun, Zhicheng Jiang, Chengliang Xia +12

Revealing the momentum-resolved electronic structure of infinite-layer nickelates is essential for understanding this new class of unconventional superconductors, but has been hind…