A look back at the history of density functional theory explores why the idea was slow to be adopted in chemistry.

This article describes best practices for `zero Kelvin' energy calculations on mol­ecular crystals and is targeted for non-experts who would like to perform their own calculations or assess the accura...

Accurate predictions of exfoliation energies and lattice constants of layered materials hinge on a correct description of London dispersion physics. Modern a posteriori dispersion corrections in densi...

Accurately predicting the relative free energies of polymorphic molecular crystals is an important aspect of crystal structure prediction (CSP), which has found considerable utility in solid-form phar...

CAS announces the 2026 CAS Future Leaders - 31 early-career scientists selected globally for a two-week leadership and career development program in Columbus, OH.

Nanomechanical measurements of molecular thin films are non-trivial due to ease of perturbation of the molecular surface. The authors present a direct, experimental demonstration of the tunability in ...

In this review, applications of engineered peptide nanomaterials in enhanced cancer imaging are summarized, focusing on the most pertinent of reports. The design principles of said peptide nanostru...

Three Dalhousie researchers—Jennifer Bain, Mark Stradiotto, and Finlay Maguire—join the Royal Society of Canada, honoured for groundbreaking work in musicology, sustainable chemistry, and infectious d...

We present a silver-promoted cyclization of peptide thioamides that enables site-specific insertion of oxazole and methyloxazole motifs through oxazoline intermediates. Demonstrated in di- and tetrape...

Methods for the quantitative comparison of two or more crystal structures are essential for the study of molecular crystals. There are many research areas in which it is necessary to distinguish cryst...

From pioneering new approaches in medical education to championing equity and inclusion in the classroom, this year's award recipients exemplify the very best of what it means to teach and lead.

A first-of-its-kind expo hosted on campus last month offered an immersive glimpse into some of the initiatives, research and partnerships that fuel Dalhousie's progress in supporting global sustainabi...

Organic polymers generally feature 1-dimensional chains or 2-dimensional rings in their backbones since synthetic challenges limit the availability of 3-dimensional monomers. Inorganic cages are less ...