Lórien MacEnulty

Trinity College — Canada

Physics and Astronomy · Physical Sciences

3h-index20citations7works2.52yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Physics of Superconductivity and Magnetism(3), Magnetic and transport properties of perovskites and related materials(2), Advanced Condensed Matter Physics(2), Advanced Chemical Physics Studies(1), Parallel Computing and Optimization Techniques(1)

Publications7 total

Accurate bandgaps of photovoltaic kesterites from first-principles DFT+U
arXiv (Cornell University)·2025Open Access
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials
The Journal of Chemical Physics·2025· 5 citedOpen Access
Benchmarking total energies with Hund's J terms in Hubbard-corrected spin-crossover chemistry
arXiv (Cornell University)·2025Open Access
Facilities and practices for linear response Hubbard parameters U and J in Abinit
Electronic Structure·2024· 5 citedOpen Access
Optimization strategies developed on NiO for Heisenberg exchange coupling calculations using projector augmented wave based first-principles DFT+U+J
Physical review. B./Physical review. B·2023· 10 cited
Optimization strategies developed on NiO for Heisenberg exchange coupling calculations using projector augmented wave based first-principles DFT+U+J
arXiv (Cornell University)·2023Open Access
Calculation of the Magnetostatic Energy in Spin Density Functional Theory
Journal of Undergraduate Reports in Physics·2020Open Access

Frequent Co-authors

David D. O’Regan(7), Bernard Amadon(2), Matteo Giantomassi(2), Gian‐Marco Rignanese(2), Matthieu J. Verstraete(1), João Abreu(1), Guillaume E. Allemand(1), Gabriel Antonius(1), Maryam Azizi(1), Lucas Baguet(1), Clémentine Barat(1), Louis Bastogne(1), Romuald Béjaud(1), Jean-Michel Beuken(1), Jordan Bieder(1), Augustin Blanchet(1), François Bottin(1), J. Bouchet(1), Julien Bouquiaux(1), Éric Bousquet(1)