Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States
Graph Chatbot
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.
In every dimension d >= 2, we give an explicit formula that expresses the values of any Schwartz function on R-d only in terms of its restrictions, and the restrictions of its Fourier transform, to all origin-centered spheres whose radius is the square roo ...
Functional time series is a temporally ordered sequence of not necessarily independent random curves. While the statistical analysis of such data has been traditionally carried out under the assumption of completely observed functional data, it may well ha ...
Consider F is an element of C(RxX,Y) such that F(lambda, 0) = 0 for all lambda is an element of R, where X and Y are Banach spaces. Bifurcation from the line Rx{0} of trivial solutions is investigated in cases where F(lambda, center dot ) need not be Frech ...
In structural health monitoring (SHM), risk assessment and decision strategies rely primarily on sensor responses. Simulated data can be generated to emulate the monitoring phenomena under different natural operational and environmental conditions in order ...
Deep neural networks have amply demonstrated their prowess but estimating the reliability of their predictions remains challenging. Deep Ensembles are widely considered as being one of the best methods for generating uncertainty estimates but are very expe ...
The objective of this thesis is to provide a mathematical and computational framework for the proactive maintenance of complex systems with a particular application to structural health monitoring (SHM). SHM techniques rely primarily on sensor responses to ...
We present an overview of the onetep program for linear-scaling density functional theory (DFT) calculations with large basis set (plane-wave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spa ...
An integer program (IP) is a problem of the form min{f(x):Ax=b,l≤x≤u,x∈Zn}, where A∈Zm×n, b∈Zm, l,u∈Zn, and f:Zn→Z is a separable convex objective function.
The problem o ...
Visual Focus of Attention (VFOA) estimation in conversation is challenging as it relies on difficult to estimate information (gaze) combined with scene features like target positions and other contextual information (speaking status) allowing to disambigua ...
Exact exchange is a primordial ingredient in Kohn–Sham Density Functional Theory based Molecular Dynamics (MD) simulations whenever thermodynamic properties, kinetics, barrier heights or excitation energies have to be predicted with high accuracy. However, ...
