The results of the sixth blind test of organic crystal structure prediction methods are presented and discussed, highlighting progress for salts, hydrates and bulky flexible molecules, as well as on-going challenges.

Crystal structures of four new coumarin polymorphs were solved by crystal structure prediction method and their lattice and free energies were calculated by advanced techniques.

We discuss the three independent asymmetries, A(2)T (q 2 ) and A (re) T (q 2 ), that one can build from the amplitudes A ⊥ (q 2 ) and A (q 2 ). These quantities are expected to be accessible from the new B-physics experiments, they are sensitive to the presence of new physics, and they are not very sensitive to hadronic uncertainties. Studying their low q 2 dependence can be helpful in discerning among various possible new physics scenarios. All three asymmetries can be extracted from the full angular analysis of B → K * + − . Our formulas apply to both the massless and the massive lepton case.

The generation of free energy landscapes corresponding to conformational equilibria in complex molecular systems remains a significant computational challenge. Adding to this challenge is the need to represent, store, and manipulate the often high-dimensional surfaces that result from rare-event sampling approaches employed to compute them. In this Letter, we propose the use of artificial neural networks as a solution to these issues. Using specific examples, we discuss network training using enhanced-sampling methods and the use of the networks in the calculation of ensemble averages.