Rajiv K. Kalia

From MaRDI portal
Person:205526

Available identifiers

zbMath Open kalia.rajiv-kMaRDI QIDQ205526

List of research outcomes





PublicationDate of PublicationType
Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations2023-05-22Paper
A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics2019-04-25Paper
Large nonadiabatic quantum molecular dynamics simulations on parallel computers2014-09-24Paper
Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory2010-10-18Paper
A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations2010-10-18Paper
Atomistic damage mechanisms during hypervelocity projectile impact on AlN: A large-scale parallel molecular dynamics simulation study2009-06-18Paper
Virtualization-aware application framework for hierarchical multiscale simulations on a grid2006-02-13Paper
Scalable multiresolution algorithms for classical and quantum molecular dynamics simulations of nanosystems2005-04-05Paper
https://portal.mardi4nfdi.de/entity/Q44174262003-07-29Paper
Multiresolution algorithms for massively parallel molecular dynamics simulations of nanostructured materials2003-01-07Paper
Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: Design, analysis, and scalability test of parallel algorithms2002-01-24Paper
Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers2001-10-10Paper
Scalable I/O of large-scale molecular dynamics simulations: A data-compression algorithm2001-03-19Paper

Research outcomes over time

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