List of works - Timothy C Germann

369 Tflop/s molecular dynamics simulations on the Roadrunner general-purpose heterogeneous supercomputer

369 Tflop/s molecular dynamics simulations on the petaflop hybrid supercomputer ‘Roadrunner’

article

A quantum chemistry study of Diels-Alder dimerizations in benzene and anthracene.

scientific article published in July 2009

ATOMISTIC SIMULATIONS OF SHOCK-INDUCED PHASE TRANSFORMATIONS IN POLYCRYSTALLINE IRON

Anisotropic shock response of columnar nanocrystalline Cu

article

Atomistic methods in fluid simulation

scientific article

Atomistic simulations of shock-induced alloying reactions in Ni∕Al nanolaminates

article

BlueGene/L applications: Parallelism On a Massive Scale

article

COVID-19 reopening strategies at the county level in the face of uncertainty: Multiple Models for Outbreak Decision Support

scientific article published on 05 November 2020

Crystal structure and encapsulation dynamics of ice II-structured neon hydrate

scientific article

Database assisted distribution to improve fault tolerance for multiphysics applications

article

Deformation and spallation of shocked Cu bicrystals withΣ3 coherent and symmetric incoherent twin boundaries

article by W. Z. Han et al published 11 January 2012 in Physical Review B

Designing flexible 2D transition metal carbides with strain-controllable lithium storage

scientific article published on 11 December 2017

Distributed Database Kriging for Adaptive Sampling (D2KAS)

article

Dynamic response ofCu46Zr54metallic glass to high-strain-rate shock loading: Plasticity, spall, and atomic-level structures

article

Dynamical and transport properties of liquid gallium at high pressures

scientific article published on June 2015

Effects of void size, density, and arrangement on deflagration and detonation sensitivity of a reactive empirical bond order high explosive

article

Efficient parallel linear scaling construction of the density matrix for Born-Oppenheimer molecular dynamics

scientific article published on 29 September 2015

Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate

scientific article

Entropic Stabilization of Nanoscale Voids in Materials under Tension

scientific article published in Physical Review Letters

Finite size effects at high speed frictional interfaces

Graph-based linear scaling electronic structure theory. ⬇️

scientific article published in June 2016

HIGH STRAIN RATES EFFECTS IN QUASI-ISENTROPIC COMPRESSION OF SOLIDS

article

INFLUENCE OF SHOCKWAVE PROFILE ON EJECTA

article

Influence of interatomic bonding potentials on detonation properties

scientific article published on 29 August 2007

Interaction potential for atomic simulations of conventional high explosives

scientific article published on 28 October 2008

LARGE-SCALE CLASSICAL MOLECULAR DYNAMICS SIMULATIONS OF SHOCK-INDUCED PLASTICITY IN BCC NIOBIUM

article

LARGE-SCALE MOLECULAR DYNAMICS SIMULATIONS OF THE FCC-FCC VOLUME COLLAPSE TRANSITION IN SHOCKED CESIUM

article

Large-scale molecular dynamics simulations of shock induced plasticity in tantalum single crystals

scholarly article published 2012

Melting and alloying ofNi∕Alnanolaminates induced by shock loading: A molecular dynamics simulation study

article

Mesodynamics with implicit degrees of freedom ⬇️

scientific article published in August 2014

Mitigation strategies for pandemic influenza in the United States.

scientific article

Modeling targeted layered containment of an influenza pandemic in the United States.

scientific article

Molecular Dynamics Characterization of the Response of Ni/Al Nanolaminates Under Dynamic Loading

Molecular dynamics simulation of dynamical response of perfect and porousNi∕Alnanolaminates under shock loading

article

Molecular dynamics simulations of detonation instability

scientific article published on 28 October 2008

Molecular dynamics simulations of detonation on the roadrunner supercomputer

article

Molecular dynamics simulations of shock-induced plasticity in tantalum

article

Multiple models for outbreak decision support in the face of uncertainty

scientific article published on 2 May 2023

Nanohydrodynamics simulations: an atomistic view of the Rayleigh-Taylor instability

scientific article

New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies.

scientific article published in September 2015

Nonequilibrium molecular dynamics simulations of shock wave propagation in nanolayered Cu/Nb nanocomposites

Predicting EXAFS signals from shock compressed iron by use of molecular dynamics simulations

article

Richtmyer-Meshkov instability examinedwith large-scalemolecular dynamics simulations

article

SHOCK-INDUCED SPALL IN COPPER: THE EFFECTS OF ANISOTROPY, TEMPERATURE, DEFECTS AND LOADING PULSE

article

SIMULATING EXAFS PATTERNS OF SHOCKED CRYSTALS

SIMULATION OF FLUID INSTABILITIES USING ATOMISTIC METHODS

Scaling of atomistic fluid dynamics simulations

scientific article published on 27 October 2008

Shock Loading of Granular Ni/Al Composites. Part 1: Mechanics of Loading

article

Shock Loading of Granular Ni/Al Composites. Part 2: Shock-Induced Chemistry

Shock Waves in Polycrystalline Iron

scientific article published in Physical Review Letters

Shock loading and release of a small angle tilt grain boundary in CU

Shock wave loading and spallation of copper bicrystals with asymmetric Σ3⟨110⟩ tilt grain boundaries

article

Shock-induced phase transformations in gallium single crystals by atomistic methods

article

Shock-induced spall in solid and liquid Cu at extreme strain rates

Simulating picosecond x-ray diffraction from shocked crystals using post-processing molecular dynamics calculations

article

Spall damage of copper under supported and decaying shock loading

scholarly article by Sheng-Nian Luo et al published 15 December 2009 in Journal of Applied Physics

Spatial adaptive sampling in multiscale simulation

Strain rate and orientation dependencies of the strength of single crystalline copper under compression

scholarly article in Physical Review B, vol. 86 no. 13, October 2012

Symmetric tilt boundaries in body-centered cubic tantalum

scholarly article by Eric N. Hahn et al published April 2016 in Scripta Materialia

THE EFFECTS OF DEFECTS ON MELTING OF COPPER

article

The effect of vacancies on dynamic response of single crystal Cu to shock waves

article

The importance of fluctuations in fluid mixing

scholarly article

The kinetics study of the S + S2→ S3reaction by the chaperone mechanism

article published in 2011

The role of the structure of grain boundary interfaces during shock loading

Use of the Richtmyer-Meshkov Instability to Infer Yield Stress at High-Energy Densities

scientific article published in Physical Review Letters

List of works by Timothy C Germann

369 Tflop/s molecular dynamics simulations on the Roadrunner general-purpose heterogeneous supercomputer

369 Tflop/s molecular dynamics simulations on the petaflop hybrid supercomputer ‘Roadrunner’

A quantum chemistry study of Diels-Alder dimerizations in benzene and anthracene.

ATOMISTIC SIMULATIONS OF SHOCK-INDUCED PHASE TRANSFORMATIONS IN POLYCRYSTALLINE IRON

Anisotropic shock response of columnar nanocrystalline Cu

Atomistic methods in fluid simulation

Atomistic simulations of shock-induced alloying reactions in Ni∕Al nanolaminates

BlueGene/L applications: Parallelism On a Massive Scale

COVID-19 reopening strategies at the county level in the face of uncertainty: Multiple Models for Outbreak Decision Support

Crystal structure and encapsulation dynamics of ice II-structured neon hydrate

Database assisted distribution to improve fault tolerance for multiphysics applications

Deformation and spallation of shocked Cu bicrystals withΣ3 coherent and symmetric incoherent twin boundaries

Designing flexible 2D transition metal carbides with strain-controllable lithium storage

Distributed Database Kriging for Adaptive Sampling (D2KAS)

Dynamic response ofCu46Zr54metallic glass to high-strain-rate shock loading: Plasticity, spall, and atomic-level structures

Dynamical and transport properties of liquid gallium at high pressures

Effects of void size, density, and arrangement on deflagration and detonation sensitivity of a reactive empirical bond order high explosive

Efficient parallel linear scaling construction of the density matrix for Born-Oppenheimer molecular dynamics

Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate

Entropic Stabilization of Nanoscale Voids in Materials under Tension

Finite size effects at high speed frictional interfaces

Graph-based linear scaling electronic structure theory. ⬇️

HIGH STRAIN RATES EFFECTS IN QUASI-ISENTROPIC COMPRESSION OF SOLIDS

INFLUENCE OF SHOCKWAVE PROFILE ON EJECTA

Influence of interatomic bonding potentials on detonation properties

Interaction potential for atomic simulations of conventional high explosives

LARGE-SCALE CLASSICAL MOLECULAR DYNAMICS SIMULATIONS OF SHOCK-INDUCED PLASTICITY IN BCC NIOBIUM

LARGE-SCALE MOLECULAR DYNAMICS SIMULATIONS OF THE FCC-FCC VOLUME COLLAPSE TRANSITION IN SHOCKED CESIUM

Large-scale molecular dynamics simulations of shock induced plasticity in tantalum single crystals

Melting and alloying ofNi∕Alnanolaminates induced by shock loading: A molecular dynamics simulation study

Mesodynamics with implicit degrees of freedom ⬇️

Mitigation strategies for pandemic influenza in the United States.

Modeling targeted layered containment of an influenza pandemic in the United States.

Molecular Dynamics Characterization of the Response of Ni/Al Nanolaminates Under Dynamic Loading

Molecular dynamics simulation of dynamical response of perfect and porousNi∕Alnanolaminates under shock loading

Molecular dynamics simulations of detonation instability

Molecular dynamics simulations of detonation on the roadrunner supercomputer

Molecular dynamics simulations of shock-induced plasticity in tantalum

Multiple models for outbreak decision support in the face of uncertainty

Nanohydrodynamics simulations: an atomistic view of the Rayleigh-Taylor instability

New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies.

Nonequilibrium molecular dynamics simulations of shock wave propagation in nanolayered Cu/Nb nanocomposites

Predicting EXAFS signals from shock compressed iron by use of molecular dynamics simulations

Richtmyer-Meshkov instability examinedwith large-scalemolecular dynamics simulations

SHOCK-INDUCED SPALL IN COPPER: THE EFFECTS OF ANISOTROPY, TEMPERATURE, DEFECTS AND LOADING PULSE

SIMULATING EXAFS PATTERNS OF SHOCKED CRYSTALS

SIMULATION OF FLUID INSTABILITIES USING ATOMISTIC METHODS

Scaling of atomistic fluid dynamics simulations

Shock Loading of Granular Ni/Al Composites. Part 1: Mechanics of Loading

Shock Loading of Granular Ni/Al Composites. Part 2: Shock-Induced Chemistry

Shock Waves in Polycrystalline Iron

Shock loading and release of a small angle tilt grain boundary in CU

Shock wave loading and spallation of copper bicrystals with asymmetric Σ3⟨110⟩ tilt grain boundaries

Shock-induced phase transformations in gallium single crystals by atomistic methods

Shock-induced spall in solid and liquid Cu at extreme strain rates

Simulating picosecond x-ray diffraction from shocked crystals using post-processing molecular dynamics calculations

Spall damage of copper under supported and decaying shock loading

Spatial adaptive sampling in multiscale simulation

Strain rate and orientation dependencies of the strength of single crystalline copper under compression

Symmetric tilt boundaries in body-centered cubic tantalum

THE EFFECTS OF DEFECTS ON MELTING OF COPPER

The effect of vacancies on dynamic response of single crystal Cu to shock waves

The importance of fluctuations in fluid mixing

The kinetics study of the S + S2→ S3reaction by the chaperone mechanism

The role of the structure of grain boundary interfaces during shock loading

Use of the Richtmyer-Meshkov Instability to Infer Yield Stress at High-Energy Densities