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Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol

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Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol

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Two Dimensional Quantum Mechanical Simulation of Low Dimensional Tunneling Devices

A Quantum Dynamics Study of the Ultrafast Relaxation in a Prototypical Cu(I)-Phenanthroline

On the Nature of Interactions of Radicals with Polar Molecules

Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls

Improving the study of proton transfers between amino acid side chains in solution: choosing appropriate DFT functionals and avoiding hidden pitfalls

Continuous-time distributed estimation with asymmetric mixing

Colored-Noise Thermostats à la Carte

Genetic representation and evolvability of modular neural controllers

Reaction Enthalpies Using the Neural-Network-Based X1 Approach: The Important Choice of Input Descriptors

Neural modeling of the cortical processes underlying imitative behaviors