Publications related to Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics study

The Environment, constant or variable?

The presentation delves into the significance of the concept of the Environment in Architecture, examining whether the term could be construed as a constant or a variable. Supported by a series of examples from the Alpine context, it seeks to illuminate th ...

2024

Scale invariant Einstein-Cartan gravity and flat space conformal symmetry

Georgios Karananas, Sebastian Zell

We find the conditions under which scale-invariant Einstein-Cartan gravity with scalar matter fields leads to an approximate conformal invariance of the flat space particle theory up to energies of the order of the Planck mass. In the minimal setup, these ...

New York2023

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

EPFL2023

Hamiltonian truncation in Anti-de Sitter spacetime

Marco Meineri, Kamran Salehi Vaziri, Matthijs Jan Hogervorst

Quantum Field Theories (QFTs) in Anti-de Sitter (AdS) spacetime are often strongly coupled when the radius of AdS is large, and few methods are available to study them. In this work, we develop a Hamiltonian truncation method to compute the energy spectrum ...

SPRINGER2021

A dependence of the cost of fast controls for the heat equation on the support of initial datum

Hoài-Minh Nguyên

The controllability cost for the heat equation as the control time

T

goes to 0 is well-known of the order

e^{C/T}

for some positive constant

C

, depending on the controlled domain and for all initial datum. In this paper, we prove that the constant $C ...

2021

A new regret analysis for Adam-type algorithms

Volkan Cevher, Ahmet Alacaoglu

In this paper, we focus on a theory-practice gap for Adam and its variants (AMSgrad, AdamNC, etc.). In practice, these algorithms are used with a constant first-order moment parameter 1 (typically between 0:9 and 0:99). In theory, regret guarantees for onl ...

2020

First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

Samuel Poncé, Feliciano Giustino

One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients such as electro ...

IOP PUBLISHING LTD2020

Cost for a controlled linear KdV equation

Joachim Krieger, Shengquan Xiang

The controllability of the linearized KdV equation with right Neumann control is studied in the pioneering work of Rosier [25]. However, the proof is by contradiction arguments and the value of the observability constant remains unknown, though rich mathem ...

2019

Depth-averaged momentum equation for gravity currents with varying density: coefficient in pressure term

Mário Jorge Rodrigues Pereira Da Franca, Sara Venuleo

Gravity currents are often modelled by means of shallow water equations (SWEs). In these models, simplifications such as the consideration of a constant layer-averaged density are common. This note presents the complete and general derivation of a 2D depth ...

2018

Efficient intersystem crossing in 2-aminopurine riboside probed by femtosecond time-resolved transient vibrational absorption spectroscopy

Rebecca Ann Ingle, Hugo Jean Baptiste Marroux

The photophysical dynamics of 2-aminopurine riboside (2APr) in CHCl3 have been studied following excitation at (pump) = 310 nm by means of femtosecond transient vibrational absorption spectroscopy (TVAS) aided by quantum chemical density functional theory ...

ROYAL SOC CHEMISTRY2018

Timescales of N-H bond dissociation in pyrrole: a nonadiabatic dynamics study

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The Environment, constant or variable?

Scale invariant Einstein-Cartan gravity and flat space conformal symmetry

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Hamiltonian truncation in Anti-de Sitter spacetime

A dependence of the cost of fast controls for the heat equation on the support of initial datum

A new regret analysis for Adam-type algorithms

First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

Cost for a controlled linear KdV equation

Depth-averaged momentum equation for gravity currents with varying density: coefficient in pressure term

Efficient intersystem crossing in 2-aminopurine riboside probed by femtosecond time-resolved transient vibrational absorption spectroscopy

Scale invariant Einstein-Cartan gravity and flat space conformal symmetry

Cost for a controlled linear KdV equation

Hamiltonian truncation in Anti-de Sitter spacetime

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

Efficient intersystem crossing in 2-aminopurine riboside probed by femtosecond time-resolved transient vibrational absorption spectroscopy

The Environment, constant or variable?

A dependence of the cost of fast controls for the heat equation on the support of initial datum

A new regret analysis for Adam-type algorithms

Depth-averaged momentum equation for gravity currents with varying density: coefficient in pressure term