Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization by rapidly predicting molecular interactions and properties. For instance, ...

Classical AI is not a competitor to quantum; it’s a critical enabling technology for realizing quantum’s potential.

Computer simulations of high-energy particles are pushing the boundaries of what we can learn about the interactions that ...

Researchers at the Institute of Physics in Zagreb, Croatia, in collaboration with international partners, have showcased new methods for visualizing atomic-scale changes in advanced materials.

By controlling individual atoms, researchers have demonstrated a way to turn previously unwanted atomic motion into an ...

Endogenous intracellular allosteric modulators of GPCRs remain largely unexplored, with limited binding and phenotype data available. This gap arises from the lack of robust computational methods for ...

Researchers proposed a novel strategy for using a magnetic field to boost the efficiency of single-atom catalysts – thus ...

Amazon Braket users can employ Nvidia's open-source quantum development platform to develop hybrid workflows using the CUDA-Q ...

Theoretical chemistry seeks to provide theories and explanations for chemical observations whilst also posing questions to be answered by future experiments. Playing a key role in physical ...

The physical chemistry classes from three colleges have collaborated on two computational chemistry projects using Quantum CAChe 3.0 and Gaussian 94W running on Pentium II PCs. Online communication by ...

Eye Research Center, The Five Senses Institute Rassoul Akram Hospital, Iran University of Medical Sciences, Tehran 1445613131, Iran Stem Cell and Regenerative Medicine Research Center, Iran University ...