Rajiv K. Kalia

Available identifiers

zbMath Open kalia.rajiv-kMaRDI QIDQ205526

List of research outcomes

Publication	Date of Publication	Type
Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations	2023-05-22	Paper
A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics	2019-04-25	Paper
Large nonadiabatic quantum molecular dynamics simulations on parallel computers	2014-09-24	Paper
Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory	2010-10-18	Paper
A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations	2010-10-18	Paper
Atomistic damage mechanisms during hypervelocity projectile impact on AlN: A large-scale parallel molecular dynamics simulation study	2009-06-18	Paper
Virtualization-aware application framework for hierarchical multiscale simulations on a grid	2006-02-13	Paper
Scalable multiresolution algorithms for classical and quantum molecular dynamics simulations of nanosystems	2005-04-05	Paper
https://portal.mardi4nfdi.de/entity/Q4417426	2003-07-29	Paper
Multiresolution algorithms for massively parallel molecular dynamics simulations of nanostructured materials	2003-01-07	Paper
Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: Design, analysis, and scalability test of parallel algorithms	2002-01-24	Paper
Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers	2001-10-10	Paper
Scalable I/O of large-scale molecular dynamics simulations: A data-compression algorithm	2001-03-19	Paper

Research outcomes over time

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