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Media Contacts
![Study reveals flaw in long-accepted approximation used in water simulations](/sites/default/files/styles/list_page_thumbnail/public/2024-05/Coury%20water%20sxs.png?h=08b251e7&itok=jz-P3SBd)
Computational scientists at ORNL have published a study that questions a long-accepted factor in simulating the molecular dynamics of water: the 2 femtosecond time step. According to the team’s findings, using anything greater than a 0.5 femtosecond time step can introduce errors in both the dynamics and thermodynamics when simulating water using a rigid-body description.
Simulations performed on the Summit supercomputer at ORNL are cutting through that time and expense by helping researchers digitally customize the ideal alloy.
Integral to the functionality of ORNL's Frontier supercomputer is its ability to store the vast amounts of data it produces onto its file system, Orion. But even more important to the computational scientists running simulations on Frontier is their capability to quickly write and read to Orion along with effectively analyzing all that data. And that’s where ADIOS comes in.
![ORNL’s Thomas Proffen, mentee recognized by National Center for Women & Information Technology](/sites/default/files/styles/list_page_thumbnail/public/2024-04/220629_ogr_0009.jpg?h=fb5fb322&itok=cObSWWMz)
Thomas Proffen, a neutron scattering scientist at ORNL and founder of Oak Ridge Computer Science Girls, was recognized with an award from the National Center for Women & Information Technology, or NCWIT. In addition, one of his students received a national honor from the organization.
![Rigoberto Advincula has been elected to the to the AIMBE College of Fellows. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2024-04/Picture1_0.jpg?h=978cd9c8&itok=jzDitLYM)
Rigoberto “Gobet” Advincula, a scientist with joint appointments at ORNL and the University of Tennessee, has been named a Fellow of the American Institute for Medical and Biological Engineering.
![ORNL’s Erin Webb is co-leading a new Circular Bioeconomy Systems Convergent Research Initiative focused on advancing production and use of renewable carbon from Tennessee to meet societal needs. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2024-04/Erin%20Webb%202022-P09128.jpg?h=c6980913&itok=pCWWVGaU)
ORNL’s Erin Webb is co-leading a new Circular Bioeconomy Systems Convergent Research Initiative focused on advancing production and use of renewable carbon from Tennessee to meet societal needs.
![An international team using neutrons set the first benchmark (one nanosecond) for a polymer-electrolyte and lithium-salt mixture. Findings could produce safer, more powerful lithium batteries. Credit: Phoenix Pleasant/ORNL](/sites/default/files/styles/list_page_thumbnail/public/2024-04/roost.jpg?h=4f43c43c&itok=_42L5o3J)
An international team using neutrons set the first benchmark (one nanosecond) for a polymer-electrolyte and lithium-salt mixture. Findings could produce safer, more powerful lithium batteries.
The Neutron Scattering Society of America, or NSSA, recognized Oak Ridge National Laboratory’s Ke An and Ken Herwig as fellows for their outstanding contributions to neutron scattering.
![DOE national laboratory scientists led by Oak Ridge National Laboratory have developed the first tree dataset of its kind, bridging molecular information about the poplar tree microbiome to ecosystem-level processes. Credit: Andy Sproles, ORNL/U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2024-04/plantTreeMicrobe04%20%281%29.jpg?h=55e40f5b&itok=OkZsQvEv)
A first-ever dataset bridging molecular information about the poplar tree microbiome to ecosystem-level processes has been released by a team of DOE scientists led by ORNL. The project aims to inform research regarding how natural systems function, their vulnerability to a changing climate and ultimately how plants might be engineered for better performance as sources of bioenergy and natural carbon storage.
![Jens Dilling has been named associate laboratory director for the Neutron Sciences Directorate at the Department of Energy’s Oak Ridge National Laboratory, effective April 1.](/sites/default/files/styles/list_page_thumbnail/public/2024-04/2023-P00432.jpg?h=8f9cfe54&itok=u0VPYkqj)
Jens Dilling has been named associate laboratory director for the Neutron Sciences Directorate at the Department of Energy’s Oak Ridge National Laboratory, effective April 1.