A study from Rice University, published in PRX Quantum, has found that energy transfers more quickly between molecular sites ...

Scientists use quantum many-body data and machine learning to boost density functional theory accuracy for chemistry and ...

Researchers from the Massachusetts Institute of Technology (MIT) Jameel Clinic for Machine Learning in Health have announced the open-source release of Boltz-2, which now predicts molecular binding ...

Trained on quantum data, a new model makes computations more accurate while keeping computer costs low ...

Aquaglyceroporin Aqp10, a protein channel for water and glycerol, selectively permeates urea and boric acid due to its unique ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Genomic modeling and design have the potential to transform synthetic biology research. However, researchers face bottlenecks due to insufficient tools that fail to support a deep understanding of the ...

Conventional parameters for risk stratification prognosis for patients with low-risk myelodysplastic neoplasms, especially bone marrow blast percentage, drop their clinical significance once molecular ...

Understanding chemical reactions and material properties consumes about a third of US national lab supercomputer time. At the ...

Molecular profiling has transformed cancer care, but 30% of high-risk pediatric cancers do not have actionable therapeutic ...