Crosscutting Research Research Highlights

Molecular design improved through machine learning

CMI researchers from Ames National Laboratory conducted the activity for this highlight

A) Parity plot comparing predicted and experimental log K values with mean error (ME = 0.032) lower than experimental accuracy and root mean squared error (RMSE = 0.629) approaching experimental errors. B) The top ranked ligands generated by linking pyridines and amides (blue functional groups).

Leadership Academy alum promoted to Deputy Group Leader

CMI researchers from Lawrence Livermore National Laboratory conducted the activity for this highlight

image of person head and shoulders: Emily Moore, Lawrence Livermore National Laboratory

Grand challenges in anticipating and responding to critical materials supply risks

CMI researchers from Colorado School of Mines conducted the activity for this highlight

New approach to accelerate complex chemical simulations

CMI researchers from Lawrence Livermore National Laboratory conducted the activity for this highlight

REE halide solubility modeling accelerates industrial research

CMI researchers from Rutgers University conducted the activity for this highlight

Machine-learning accelerates development of material microstructure evolution model

CMI researchers from Lawrence Livermore National Laboratory and Rice University conducted the activity for this highlight

3D grain growth simulations: (top row) high-fidelity ground truth compared to (bottom row) graph neural network surrogate model

Evaluating ecotoxicity of chemicals used in the rare-earth separations

CMI researchers from Colorado School of Mines conducted the activity for this highlight

side-by-side images of bacteria, before and after adding a toxin

Early career researcher earns Fulbright Fellowship

CMI researchers from Lawrence Livermore National Laboratory conducted the activity for this highlight

image of person head and shoulders: Kate Elder, Postdoctoral Researcher at LLNL

Accelerating process development by synthesis, auto extraction

CMI researchers from Ames National Laboratory and Purdue University conducted the activity for this highlight

spider diagram shows life cycle assessment of new DGA synthesis pathway comparing to prior art method.

CMI research drawing international attention

CMI researchers from the Ames National Laboratory, Lawrence Livermore National Laboratory, Oak Ridge National Laboratory and Colorado School of Mines conducted the activity for this highlight.