works on
density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1

From the 1 of 5.5k papers with an AI index.

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19932026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

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Showing 2009Show all

274 papers · 1 filter

math.GN2009★ 3 cited

A decomposition theorem for maxitive measures

Paul Poncet

A maxitive measure is the analogue of a finitely additive measure or charge, in which the usual addition is replaced by the supremum operation. Contrarily to charges, maxitive meas…

cs.LG2009★ 3 cited

On Finding Predictors for Arbitrary Families of Processes

Daniil Ryabko

The problem is sequence prediction in the following setting. A sequence of discrete-valued observations is generated according to some unknown probabilistic law (…

math.NA2009★ 25 cited

A global method for coupling transport with chemistry in heterogeneous porous media

Amir Laila, Michel Kern

Modeling reactive transport in porous media, using a local chemical equilibrium assumption, leads to a system of advection-diffusion PDE's coupled with algebraic equations. When so…

cs.NI2009★ 11 cited

On Space-Time Capacity Limits in Mobile and Delay Tolerant Networks

Philippe Jacquet, Bernard Mans, Georgios Rodolakis

We investigate the fundamental capacity limits of space-time journeys of information in mobile and Delay Tolerant Networks (DTNs), where information is either transmitted or carrie…

cond-mat.stat-mech2009★ 22 cited

Thermal conductivity of the Toda lattice with conservative noise

Alessandra Iacobucci, Frederic Legoll, Stefano Olla +1

We study the thermal conductivity of the one dimensional Toda lattice perturbed by a stochastic dynamics preserving energy and momentum. The strength of the stochastic noise is con…

cs.DM2009

Set Systems and Families of Permutations with Small Traces

Otfried Cheong, Xavier Goaoc, Cyril Nicaud

We study the maximum size of a set system on elements whose trace on any elements has size at most . We show that if for some the shatter function …