Ultrafast Intersystem Crossing and Structural Dynamics of [Pt(ppy)(mu-(t)Bu(2)pz)](2)

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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

Combined Passive and Active Ultrasonic Stress Wave Monitoring of UHPFRC Properties on a Structural Level

Eugen Brühwiler, Numa Joy Bertola, Thomas Schumacher

Ultra-High-Performance Fiber-Reinforced Cementitious Composite (UHPFRC) is becoming popular in designing lightweight and durable structures. UHPFRC structural elements remain crack-free and waterproof under service conditions, significantly improving durab ...

2023

Progress and prospects in nonlinear extreme-ultraviolet and X-ray optics and spectroscopy

Majed Chergui

Free-electron lasers and high-harmonic-generation table-top systems are new sources of extreme-ultraviolet to hard X-ray photons, providing ultrashort pulses that are intense, coherent and tunable. They are enabling a broad range of nonlinear optical and s ...

NATURE PORTFOLIO2023

Fast, Broad-Band Magnetic Resonance Spectroscopy with Diamond Widefield Relaxometry

Mayeul Sylvain Chipaux, Hoda Shirzad

We present an alternative to conventional Electron the use of bulky magnets and magnetron equipment, we use the photoluminescence of an ensemble of Nitrogen-Vacancy centers at the surface of a diamond. Monitoring their relaxation time (or T1), we detected ...

AMER CHEMICAL SOC2023

Computational Conceptual Design – Typological Exploration Of Spatial Truss Systems Through Optimization

Corentin Jean Dominique Fivet, Jonas Warmuth, Pierluigi D'Acunto

Exploring a wide range of relevant design options from the outset is crucial for every sound conceptual design process. Optimization techniques are generally employed to generate well-performing structural design options. However, focusing only on performa ...

2023

Selection of informative monitoring techniques for bridge-performance evaluations

Eugen Brühwiler, Numa Joy Bertola

Decisions regarding the management of civil infrastructure are becoming more crucial as a large share of bridges is presently approaching what is often considered to be the end of their theoretical service duration. Evaluating existing structures using a d ...

Trinity College2023

Sensing the structural behavior: A perspective on the usefulness of monitoring information for bridge examination

Eugen Brühwiler, Numa Joy Bertola, Yves Sylvain Gilles Reuland

Managing existing civil infrastructure is challenging due to evolving functional requirements, material aging, and climate change. With increasingly limited economic, environmental, and material resources, more sustainable solutions for practical asset man ...

2023

Energy geotechnology: A new era for geotechnical engineering practice

Lyesse Laloui, Melis Sütman

Energy geotechnology provides low carbon, cost-effective and local energy solu-tions to structures and infrastructures, which opens a new era for the geotechnical engineering practice, by extending the conventional role of structural design to the ...

CRC Press2023

Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry

Laura Grigori

We introduce two new approximation methods for the numerical evaluation of the long-range component of the range-separated Coulomb potential and the approximation of the resulting high dimensional Two-Electron Integrals tensor (TEI) with long-range interac ...

Academic Press Inc Elsevier Science2023

Protein target highlights in CASP15: Analysis of models by structure providers

Bruno Lemaitre, Luciano Andres Abriata, Samuel Rommelaere, Kuan-Lin Wu, Han Xiao

We present an in-depth analysis of selected CASP15 targets, focusing on their biological and functional significance. The authors of the structures identify and discuss key protein features and evaluate how effectively these aspects were captured in the su ...

WILEY2023

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