Publications related to Efficient evaluation of accuracy of molecular quantum dynamics using dephasing representation

Related publications (43)

Branching fraction measurement of the decay B+→ψ(2S)ϕ(1020)K+

Olivier Schneider, Aurelio Bay, Guido Haefeli, Tatsuya Nakada, Frédéric Blanc, Lesya Shchutska, Elena Graverini, Sebastian Schulte, Marie Theres Christin Bachmayer, Serhii Cholak, Ettore Zaffaroni, Aravindhan Venkateswaran, Luis Miguel Garcia Martin, Yunxuan Song, Vitalii Lisovskyi, Sonia Amina Bouchiba, Federico Ronchetti, Radoslav Marchevski, Anni Matilda Kauniskangas, Dimitrios Kaminaris, Raphaël van Laak, Pierre Paul Louis Mayencourt, Andrea Merli, Gianluca Zunica, Abdul-Kerim Guseinov, Roberto Ribatti, Spencer Edward Collaviti

The branching fraction of the decay B + → ψ ( 2 S ) ϕ ( 1020 ) K + , relative to the topologically similar decay B + → J / ψ ϕ ( 1020 ) K + , is measured using proton-proton collision data collected by the LHCb experiment at center-of-mass energies of 7, 8 ...

American Physical Society (APS)2025

Search for the Double Dalitz Decays η/η' →e + e -μ +μ - and η'→μ+μ-μ+μ-

Yunxuan Song

Using a data sample of (10087 +/- 44)x10(6) J/psi events collected with the BESIII detector, we search for the decays eta/eta' -> e (+) e (-)mu (+)mu (-) and eta'->mu(+)mu(-)mu(+)mu(-) via the radiative decaysJ/psi ->gamma eta/gamma eta '. No excess of eve ...

AMER PHYSICAL SOC2025

Towards microwave-to-optical quantum transduction with barium titanate/strontium titanate integrated photonics

Annina Irina Riedhauser

The faithful bidirectional quantum coherent conversion of microwave (5 GHz) and optical (193.5 THz) quantum states will become essential for future quantum networks. Due to their low transition frequency, qubit states are quickly destroyed at room temperat ...

EPFL2025

Study of light-meson resonances decaying to K S0 Kπ in the B → (K S0 Kπ)K channels

Olivier Schneider, Aurelio Bay, Guido Haefeli, Tatsuya Nakada, Frédéric Blanc, Lesya Shchutska, Elena Graverini, Sebastian Schulte, Marie Theres Christin Bachmayer, Ettore Zaffaroni, Aravindhan Venkateswaran, Luis Miguel Garcia Martin, Yunxuan Song, Vitalii Lisovskyi, Sonia Amina Bouchiba, Federico Ronchetti, Radoslav Marchevski, Anni Matilda Kauniskangas, Dimitrios Kaminaris, Raphaël van Laak, Pierre Paul Louis Mayencourt, Andrea Merli, Gianluca Zunica, Abdul-Kerim Guseinov, Roberto Ribatti, Spencer Edward Collaviti

A study is presented of B+→KS0K-π+K+ and B+→KS0K+π-K+ decays based on the analysis of proton-proton collision data collected with the LHCb detector at center-of-mass energies of 7, 8 and 13 TeV, corresponding to an integrated luminosity of 9 fb-1. The KS0K ...

2025

Criticality-Enhanced Quantum Sensing with a Parametric Superconducting Resonator

Pasquale Scarlino, Fabrizio Minganti, Simone Frasca, Marco Scigliuzzo, Guillaume Beaulieu

Quantum metrology, a cornerstone of quantum technologies, exploits entanglement and superposition to achieve higher precision than classical protocols in parameter-estimation tasks. When combined with critical phenomena such as phase transitions, the diver ...

American Physical Society (APS)2025

CementFF4: Formal atomic charge polarizable force field for cementitious systems – Bulk and surface

Tecla Bottinelli Montandon, Karen Scrivener, Paul Bowen, Manuel Cordova, Ziga Casar

A general-purpose formal charge polarizable force field for cementitious systems, CementFF4, is presented. The force field includes the following species: Ca, Si, O, H, Al, Zn, OH− and H2O. The force field is a significant extension of previous force field ...

Pergamon-Elsevier Science Ltd2025

Ultra-high quantum coherent and scalable superconducting circuit optomechanics, from topological lattices to quantum storage

Amir Youssefi

Mechanical oscillators can exhibit modes with ultra-low energy dissipation and compact form factors due to the slow velocity of acoustic waves, and are already used in applications ranging from timing to wireless filters. Over the past decade, novel ways i ...

EPFL2024

Quantum Error Correction and Simulation in Open Bosonic Systems

David Schlegel

Quantum computers have the potential to surpass conventional computing, but they are hindered by noise which induces errors that ultimately lead to the loss of quantum information. This necessitates the development of quantum error correction strategies fo ...

EPFL2024

Emergence of highly coherent two-level systems in a noisy and dense quantum network

Sandrine Gerber, Gabriel Aeppli

Quantum sensors and qubits are usually two-level systems (TLS), the quantum analogues of classical bits assuming binary values 0 or 1. They are useful to the extent to which superpositions of 0 and 1 persist despite a noisy environment. The standard prescr ...

Nature Portfolio2024

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Roya Moghaddasi Fereidani

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

Electron-beam based nanoscale quantum controls

Hoda Shirzad

Advancing quantum technologies depends on the precise control of individual quantum systems, the so-called qubits, and the exploitation of their quantum properties. Nowadays, expanding the number of qubits to be entangled is at the core of the developments ...

EPFL2024

Mechanically induced correlated errors on superconducting qubits with relaxation times exceeding 0.4 ms

Xuxin Wang, Tobias Kippenberg, Marco Scigliuzzo, Amir Youssefi, Jiahe Pan, Mahdi Chegnizadeh, Shingo Kono

Superconducting qubits are among the most advanced candidates for achieving fault-tolerant quantum computing. Despite recent significant advancements in the qubit lifetimes, the origin of the loss mechanism for state-of-the-art qubits is still subject to i ...

Nature Portfolio2024

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Ursula Röthlisberger, Martin Peter Bircher, Justin Villard

The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

Balancing computational chemistry's potential with its environmental impact

Philippe Schwaller, Oliver Tobias Schilter

Computational chemistry techniques offer tremendous potential for accelerating the discovery of sustainable chemical processes and reactions. However, the environmental impacts of the substantial computing power required for these digital methods are often ...

ROYAL SOC CHEMISTRY2024

The Electronic-Structure Genome of Inorganic Crystals

Junfeng Qiao

Electronic structure theory plays a central role in understanding properties of crystalline materials. Among all the ab initio methods, density functional theory (DFT) is the most popular choice due to its balance between accuracy and computational cost, a ...

EPFL2024

A Cavity-Microscope for Quantum Simulations with Locally-Controllable All-to-All Interactions

Nick Jacob Sauerwein

This thesis presents the development, construction, and benchmark of an experimental platform that combines cold fermionic 6Li atoms with locally controllable light-matter interactions. To enable local control, a new device, the cavity-microscope, was crea ...

EPFL2024

Efficient and insightful descriptors for representing molecular and material space

Alexander Jan Goscinski

Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

EPFL2024

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

Richard Gaal, Livia Eleonora Bove Kado, Umbertoluca Ranieri

Hydrogen clathrate hydrates are ice-like crystalline substances in which hydrogen molecules are trapped inside polyhedral cages formed by the water molecules. Small cages can host only a single H-2 molecule, while each large cage can be occupied by up to f ...

Aip Publishing2024

SIMPLE HIERARCHICAL PLANNING WITH DIFFUSION

Caglar Gulcehre

Diffusion-based generative methods have proven effective in modeling trajectories with offline datasets. However, they often face computational challenges and can falter in generalization, especially in capturing temporal abstractions for long- horizon tas ...

2024

Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach

Ursula Röthlisberger, Sophia Kathryn Johnson

Base excision repair enzymes (BERs) detect and repair oxidative DNA damage with efficacy despite the small size of the defects and their often only minor structural impact. A charge transfer (CT) model for rapid scanning of DNA stretches has been evoked to ...

Swiss Chemical Soc2024