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Scientists use AI to identify new materials for carbon capture

Scientists use AI to identify new materials for carbon capture
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United States , University Of Illinois At Chicago , Beckman Institute , University Of Illinois , University Of Chicago , Xiaoli Yan , Monte Carlo , Eliu Huerta , Ian Foster , Ruijie Zhu , Santanu Chaudhuri , Emad Tajkhorshid , National Science Foundation , National Center , Beckman Institute For Advanced Science , University Of Illinois Urbana Champaign , Office Of Advanced Scientific Computing Research , Argonne National Laboratory , Us Department Of Energy , Office Of Science , Nature Communications Chemistry , Advanced Science , Illinois Urbana Champaign , Argonne Leadership Computing Facility , Data Science , Hyun Park ,

Berkeley Lab's CAMERA Enhances DOE's Scientific Facilities with New Math and Software Innovations

Berkeley Lab's CAMERA Enhances DOE's Scientific Facilities with New Math and Software Innovations
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United States , Oak Ridge , Jeffrey Donatelli , James Sethian , Argonne National Laboratory , Research Infrastructure , Mathematics For Energy Research Applications , Brookhaven National Laboratory , National Synchrotron Light Source , Berkeley Earthshot Research Centers , Lawrence Berkeley National Laboratory Lab Center , Argonne National , Office Of Basic Energy Sciences , Berkeley Lab Laboratory Directed Research Program , Stanford Synchrotron Radiation Laboratory , Berkeley Lab Computing Sciences , Office Of Advanced Scientific Computing Research , National Accelerator Laboratory , Department Of Energy , Computational Research Division , Berkeley Lab , Lawrence Berkeley National Laboratory , Advanced Mathematics , Energy Research Applications , Light Source , Advanced Photon Source ,

Guiding the design of silicon devices with im

Dr. Kyle Bushick and Professor Emmanouil Kioupakis present a consistent first-principles methodology to study both direct and phonon-assisted Auger-Meitner recombination (AMR) in indirect-gap semiconductors that we apply to investigate the microscopic origin of AMR processes in silicon. Their results are in excellent agreement with experimental measurements and show that phonon-assisted contributions dominate the recombination rate in both n-type and p-type silicon, demonstrating the critical role of phonons in enabling AMR. They also decompose the overall rates into contributions from specific phonons and electronic valleys to further elucidate the microscopic origins of AMR. Their results highlight potential pathways to modify the AMR rate in silicon via strain engineering. ....

United States , Kyle Bushick , Lise Meitner , Patriciaj Betz , Emmanouil Kioupakis , Lawrence Berkeley National Lab , Office Of Advanced Scientific Computing Research , University Of Michigan , International Energy Agency , National Energy Research Scientific Computing Center , Office Of Science , Us Department Of Energy , Energy Sciences Under Award No , Method Of Research , Lawrence Berkeley National Laboratory , Computational Materials Sciences Program , Pierre Auger , Materials Science , Physical Review Letters , Science Graduate , Associate Professor , Family Faculty Scholar , Basic Energy Sciences , Energy Office , Science User Facility , Advanced Scientific Computing Research ,

Designing More Efficient Silicon Devices: New Guide

Designing More Efficient Silicon Devices: New Guide
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United States , Lise Meitner , Kyle Bushick , Patriciaj Betz , Emmanouil Kioupakis , Energy Sciences Under Award No , Office Of Science , Computational Materials Sciences Program , University Of Michigan , Lawrence Berkeley National Lab , Office Of Advanced Scientific Computing Research , Us Department Of Energy , Lawrence Berkeley National Laboratory , International Energy Agency , National Energy Research Scientific Computing Center , Pierre Auger , Materials Science , Physical Review Letters , Science Graduate , Associate Professor , Family Faculty Scholar , Basic Energy Sciences , Energy Office , Science User Facility , Advanced Scientific Computing Research , Energy Computational Science Graduate Fellowship ,

Los Alamos Researchers Advance Quantum Hardware with New Natural Interaction Approach

Los Alamos Researchers Advance Quantum Hardware with New Natural Interaction Approach
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Los Alamos , Nikolai Sinitsyn , Office Of Advanced Scientific Computing Research , Los Alamos National Laboratory , Laboratory Directed Research , Department Of Energy Office Science , Los Alamos National , Physical Review , Energy Office , Advanced Scientific Computing Research ,