Self-consistent continuum solvation for optical absorption of complex molecular systems in solution

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity conditio ...

Multiparty homomorphic encryption (MHE) enables a group of parties to encrypt data in a way that (i) enables the evaluation of functions directly over its ciphertexts and (ii) enforces a joint cryptographic access-control over the underlying data. By exten ...

Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating the vibrationally resolved electronic spectra of molecules with weakly anharmonic potential energy surfaces. Here, we show that the thawed Gaussia ...

Cloud computing environments increasingly provision FPGAs because of their fine-grained, highly parallel, and flexible hardware architecture. The availability of FPGAs in the cloud fueled research on the security risks associated with exposing FPGA fabric ...

Augmented reality in additive fabrication is predominantly applied to the manufacturing of structures from regularly shaped materials. Our work however embraces natural heterogeneity, by focusing on the assembly of irregularly shaped elements such as miner ...

Atomic force microscopy (AFM), a member of the scanning probe microscopy (SPM) family, holds a unique position as a nano-characterization instrument in the fields of physics, chemistry, and biology. Its ability to provide atomic resolution and operate in v ...

Helium nanodroplets are liquid, finite size, nanoscale helium clusters that have been employed since the 1990s as a matrix for high-resolution spectroscopy of molecules. Spectroscopic studies of ionic species inside helium droplets were not however realise ...

Self-consistent continuum solvation for optical absorption of complex molecular systems in solution

Chat with Graph Search

Many-body screening effects in liquid water

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Multiparty Homomorphic Encryption: from Theory to Practice

Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics

Practical Implementations of Remote Power Side-Channel and Fault-Injection Attacks on Multitenant FPGAs

Projector-based augmented stacking framework for irregularly shaped objects

Advancing atomic force microscopy through open source instrumentation

Orientation, rotation and solvation of ions in helium nanodroplets