Publications related to Many-Body Study of Iron(III)-Bound Human Serum Transferrin br

Related publications (13)

Correlated vibrational coherence and spectral diffusion analysis of multi-level systems using two-dimensional electronic spectroscopy

Two-dimensional electronic spectroscopy (2DES) is used to theoretically and experimentally study a minimal three level “V” system (3LVS) with one ground state and two excited states coupled to common displaced harmonic oscillator modes. The third order non ...

2025

On-chip Germanium nanowires for hole spin qubits

Santhanu Panikar Ramanandan

The creation of a universal quantum computer that can solve complex problems beyond the reach of classical computers - the so-called "quantum supremacy" - is an open challenge. For this to become a reality, a large number of qubits should be integrated in ...

EPFL2025

Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionals

Nicola Marzari, Luca Binci

Spin excitations play a fundamental role in understanding magnetic properties of materials, and have significant technological implications for magnonic devices. However, accurately modeling these in transition-metal and rare-earth compounds remains a form ...

2025

High-fidelity dimer excitations using quantum hardware

Zoë Holmes

The quantum simulation of entangled spin systems can play a central role in quantum magnetic materials discovery. Additionally, the simulation of spectroscopic signatures, such as the dynamical structure factor accessed in inelastic neutron scattering (INS ...

AMER PHYSICAL SOC2024

A unified description of atomic physics for electron Fokker-Planck calculations

Joan Decker

Most realistic kinetic calculations for tokamak plasmas are now required to incorporate the effect of partially ionized high-Z elements arising either from uncontrolled influxes of metallic impurities, such as tungsten in high input power regimes or from m ...

IOP Publishing Ltd2023

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Nicola Marzari, Giovanni Pizzi, Sebastiaan Philippe Huber, Marnik Bercx, Austin Jacob Zadoks, Kristjan Eimre, Jusong Yu

Density-functional theory methods and codes adopting periodic boundary conditions are extensively used in condensed matter physics and materials science research. In 2016, their precision (how well properties computed with different codes agree among each ...

2023

Plasma etching for fabrication of complex nanophotonic lasers from bonded InP semiconductor layers

Kirsten Emilie Moselund

Integrating optically active III-V materials on silicon/insulator platforms is one potential path towards improving the energy efficiency and performance of modern computing. Here we demonstrate the applicability of direct wafer bonding combined with plasm ...

ELSEVIER2023

Flexible Sensor and Readout Circuitry for Continuous Ion Sensing in Sweat

Sandro Carrara, Ata Jedari Golparvar, Ali Meimandi

In this letter, we present a custom-designed and flexible readout circuitry for the characterization of flexible and planar electrolyte-gated carbon nanotube field-effect transistor-based biosensors for ammonium detection in sweat. We employed spray-deposi ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

Lone Pair Rotation and Bond Heterogeneity Leading to Ultralow Thermal Conductivity in Aikinite

Virginia Carnevali

Understanding the relationship between the crystal structure, chemical bonding, and lattice dynamics is crucial for the design of materials with low thermal conductivities, which are essential in fields as diverse as thermoelectrics, thermal barrier coatin ...

2023

Stochastic Variational Principles for Dissipative Equations with Advected Quantities

Tudor Ratiu

This paper presents symmetry reduction for material stochastic Lagrangian systems with advected quantities whose configuration space is a Lie group. Such variational principles yield deterministic as well as stochastic constrained variational principles fo ...

2023

Zn/P ratio and microstructure defines carrier density and electrical transport mechanism in earth-abundant Zn3-xP2+y thin films

Mihai Adrian Ionescu, Anna Fontcuberta i Morral, Simon Robert Escobar Steinvall, Mahdi Zamani, Rajrupa Paul, Mirjana Dimitrievska, Valerio Piazza, Carlotta Gastaldi, Vanessa Conti

Scalable and sustainable photovoltaic technologies require low-cost and earth-abundant semiconducting materials. Zinc phosphide is purported to be an absorber material with optimal photovoltaic properties. Herein we report the electrical properties of Zn3P ...

2023

Mechanistic Insights on Functionalization of Graphene with Ozone

Nicola Marzari, Kumar Varoon Agrawal, Shiqi Huang, Shaoxian Li, Kuang-Jung Hsu, Luc Sébastien Bondaz, Nicéphore Arthur François Bonnet

The exposure of graphene to O-3 results in functionalization of its lattice with epoxy, even at room temperature. This reaction is of fundamental interest for precise lattice patterning, however, is not well understood. Herein, using van der Waals density ...

Amer Chemical Soc2023

Interplay between dislocation glide and omega precipitation in a Ti-15Mo alloy investigated by TEM

Junfeng Xiao

The mechanical response of ? precipitations in a Ti-15Mo alloy during compression test is investigated by transmission election microscopy (TEM) observation. The interaction between the dislocation slips and ? precipitations was focused, by which some of t ...

2023