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Publications associées (9)

Ultrafast nuclear dynamics of the acetylene cation C2H2+ and its impact on the infrared probe pulse induced C-H bond breaking efficiency

Ursula Röthlisberger, Swarnendu Bhattacharyya

The ultrafast nuclear dynamics of the acetylene cation C2H2+ following photoionization of the neutral molecule is investigated using an extreme-ultraviolet pump/infrared probe setup. The observed modulation of the C2H+ fragment ion yield with pump-probe de ...

ROYAL SOC CHEMISTRY2019

Local control theory for superconducting qubits

Ivano Tavernelli, Sara Bonella

In this work, we develop a method to design control pulses for fixed-frequency superconducting qubits coupled via tunable couplers based on local control theory, an approach commonly employed to steer chemical reactions. Local control theory provides an al ...

AMER PHYSICAL SOC2019

T Cells Redirected to a Minor Histocompatibility Antigen Instruct Intratumoral TNF alpha Expression and Empower Adoptive Cell Therapy for Solid Tumors

Melody Swartz

Donor-derived allogeneic T cells evoke potent graft versus tumor (GVT) effects likely due to the simultaneous recognition of tumor-specific and host-restricted minor histocompatibility (H) antigens. Here we investigated whether such effects could be reprod ...

Amer Assoc Cancer Research2017

Measuring nonadiabaticity of molecular quantum dynamics with quantum fidelity and with its efficient semiclassical approximation

Jiri Vanicek, Tomas Zimmermann

We propose to measure nonadiabaticity of molecular quantum dynamics rigorously with the quantum fidelity between the Born-Oppenheimer and fully nonadiabatic dynamics. It is shown that this measure of nonadiabaticity applies in situations where other criter ...

American Institute of Physics2012

Local control theory in trajectory-based nonadiabatic dynamics

Ursula Röthlisberger, Ivano Tavernelli, Basile Curchod, Thomas James Penfold

In this paper, we extend the implementation of nonadiabatic molecular dynamics within the framework of time-dependent density-functional theory in an external field described in Tavernelli et al. [Phys. Rev. A 81, 052508 (2010)] by calculating on-the-fly p ...

2011

Incremental Identification of Reaction and Mass-Transfer Rates In Gas-Liquid Reaction Systems Using Tendency Modeling

Dominique Bonvin, Nirav Pravinbhai Bhatt

The identification of reliable reaction and mass-transfer rates is important for building first-principles models of gas-liquid reaction systems. The identification of these rates involves the determination of a model structure (reaction stoichiometry, rat ...

2011

Vibrational coherence and solvent-induced non-adiabatic couplings

Majed Chergui

The ultrafast non-radiative relaxation processes between electronic states of Hg2 trapped in a cryogenic argon matrix after photon excitation at 266 nm is studied by mol. dynamics with quantum transitions (MDQT). Population transfer by matrix-induced coupl ...

2002

Métropolisation, habitat précaire et relogement forcé: entre phénomènes d'exclusion et tactiques populaires d'intégration

Sébastien Wust

This work was carried out within the interdisciplinary scientific program named "Sustainable Development, Metropolisation and Pollution of Natural Resources in Ho Chi Minh-City, Vietnam". This program, launched in 1994, is financed by the Swiss National Sc ...

EPFL2001

Effective Mass-Transfer Area in a Pilot Plant Column Equipped with Structured Packings and with Ceramic Rings

Urs von Stockar

The effective area for mass transfer of the Sulzer structured packing Mellapak 125.Y, 250.Y, and 500.Y was measured under industrial-scale operating conditions, with a broad range of gas and liq. flows, in a pilot plant with a column having an internal dia ...

1994

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