Computational Modeling

R&D 100 Winners for 2024 are Announced

Anonymous — Thu, 08 Aug 2024 06:00:00 +0000

R&D 100 Winners for 2024 are Announced Anonymous (not verified) Thu, 08/08/2024 - 00:00

The R&D 100 Awards are a renowned worldwide science and innovation competition celebrated their 62nd year in 2024. Entries were received from 16 different countries, and RASEI Fellow Steven Spurgeon led one of the winning teams.

The Autonomous Electron Microscope (AutoEM) received the 2024 R&D 100 award! AutoEM is the result of nearly 7 years of hard work by a dedicated team of scientists, including Steven R. Spurgeon (NREL, formerly PNNL), Matthew Olszta, Sarah Akers, Kevin Fiedler, Derek Hopkins, Jacob Haag, Kayla Yano, Christina Doty, and Marjolein Oostrom (PNNL).

AutoEM embeds human-like reasoning into the control of electron microscopes, which are a cornerstone of the study of materials and chemical systems. Using AutoEM researchers can conduct reproducible, high-speed experimentation nearly 1000x faster than before. We’re excited for the possibilities that AutoEM will unlock, as well as ongoing commercialization efforts with JEOL-IDES, one of the world’s largest analytical instrumentation manufacturers.

The R&D 100 Awards, often referred to as the "Oscars of Innovation," are prestigious annual awards recognizing the 100 most technologically significant products, processes, materials, or software introduced to the market in the previous year. The awards, established in 1963, are open to submissions from around the world and are judged by a panel of experts based on technical significance, uniqueness, and usefulness. Winning an R&D 100 Award is a mark of excellence for innovators and their organizations, signifying the development of groundbreaking and commercially promising technologies.

Off

Traditional

White

Tuning the activation function to optimize the forecast horizon of a reservoir computer

Anonymous — Fri, 12 Jul 2024 06:00:00 +0000

Tuning the activation function to optimize the forecast horizon of a reservoir computer Anonymous (not verified) Fri, 07/12/2024 - 00:00

JOURNAL OF PHYSICS: COMPLEXITY, 2024, 5, 035004

Off

Traditional

White

Control Co-Design of Wind Turbines

Anonymous — Mon, 01 Jul 2024 06:00:00 +0000

Control Co-Design of Wind Turbines Anonymous (not verified) Mon, 07/01/2024 - 00:00

ANNUAL REVIEW OF CONTROL, ROBOTICS, AND AUTONOMOUS SYSTEMS, 2024, 7, 201-226

Off

Traditional

White

Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites

Anonymous — Sat, 01 Jun 2024 06:00:00 +0000

Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites Anonymous (not verified) Sat, 06/01/2024 - 00:00

PHYSICAL REVIEW B, 2024, 110, 035160

Off

Traditional

White

Computationally Guided Discovery of Mixed Mn/Ni Perovskites for Solar Thermochemical Hydrogen Production at High H2 Conversion

Anonymous — Fri, 31 May 2024 06:00:00 +0000

Computationally Guided Discovery of Mixed Mn/Ni Perovskites for Solar Thermochemical Hydrogen Production at High H2 Conversion Anonymous (not verified) Fri, 05/31/2024 - 00:00

CHEMISTRY OF MATERIALS, 2024, 36, 11, 5331-5342

Off

Traditional

White

Insights into Electrochemical CO2 Reduction on Metallic and Oxidized Tin Using Grand-Canonical DFT and In Situ ATR-SEIRA Spectroscopy

Anonymous — Tue, 14 May 2024 06:00:00 +0000

Insights into Electrochemical CO2 Reduction on Metallic and Oxidized Tin Using Grand-Canonical DFT and In Situ ATR-SEIRA Spectroscopy Anonymous (not verified) Tue, 05/14/2024 - 00:00

ACS CATALYSIS, 2024, 14, 8353-8365

Off

Traditional

White

Revealing the Singlet Fission Mechanism for a Silane-Bridged Thienotetracene Dimer

Anonymous — Wed, 08 May 2024 06:00:00 +0000

Revealing the Singlet Fission Mechanism for a Silane-Bridged Thienotetracene Dimer Anonymous (not verified) Wed, 05/08/2024 - 00:00

JOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128, 20, 3982-3992

Off

Traditional

White

Interpreting accelerated tests on perovskite modules using photooxidation of MAPbI3 as an example

Anonymous — Tue, 07 May 2024 06:00:00 +0000

Interpreting accelerated tests on perovskite modules using photooxidation of MAPbI3 as an example Anonymous (not verified) Tue, 05/07/2024 - 00:00

CELL REPORTS PHYSICAL SCIENCE, 2024, 5, 5, 101969

Off

Traditional

White

Mapping the Binary Covalent Alloy Space to Pursue Superior Nitrogen Reduction Reaction Catalysts

Anonymous — Sun, 05 May 2024 06:00:00 +0000

Mapping the Binary Covalent Alloy Space to Pursue Superior Nitrogen Reduction Reaction Catalysts Anonymous (not verified) Sun, 05/05/2024 - 00:00

ADVANCED ENERGY MATERIALS, 2024, 2304559

Off

Traditional

White

How much energy can offshore wind farms in the US produce? New study sheds light

Anonymous — Thu, 25 Apr 2024 23:43:55 +0000

How much energy can offshore wind farms in the US produce? New study sheds light Anonymous (not verified) Thu, 04/25/2024 - 17:43

RASEI Fellow Julie Lundquist highlights the importance of using simulation tools to determine the locations of installing wind turbines

Off

Traditional

White