output
20132025
most citedStrong Electron Correlation in Nitrogenase Cofactor, FeMoco

52 citations

9 papers

cs.LG2025

To Each Metric Its Decoding: Post-Hoc Optimal Decision Rules of Probabilistic Hierarchical Classifiers

Roman Plaud, Alexandre Perez-Lebel, Matthieu Labeau +2

Hierarchical classification offers an approach to incorporate the concept of mistake severity by leveraging a structured, labeled hierarchy. However, decoding in such settings freq…

math.CO2024

Complexity and algorithms for Arc-Kayles and Non-Disconnecting Arc-Kayles

Kyle Burke, Antoine Dailly, Nacim Oijid

Arc-Kayles is a game where two players alternate removing two adjacent vertices until no move is left, the winner being the player who played the last move. Introduced in 1978, its…

math.QA2022★ 2 cited

Orbifolds of Lattice Vertex Algebras

Bojko Bakalov, Jason Elsinger, Victor G. Kac +1

To a positive-definite even lattice , one can associate the lattice vertex algebra , and any automorphism of lifts to an automorphism of . In this paper, we in…

quant-ph2021★ 8 cited

Advances in atomtronics

R. A. Pepino

Atomtronics is a relatively new subfield of atomic physics that aims to realize the device behavior of electronic components in ultracold atom-optical systems. The fact that these…

physics.chem-ph2020★ 7 cited

Prediction of the Existence of LiCH, a Carbene-like Organometallic Molecule

Jason M. Montgomery, Ezra Alexander, David A. Mazziotti

Carbenes comprise a well-known class of organometallic compounds consisting of a neutral, divalent carbon and two unshared electrons. Carbenes can have singlet or triplet ground st…

physics.ed-ph2020★ 16 cited

Maple's Quantum Chemistry Package in the Chemistry Classroom

Jason M. Montgomery, David A. Mazziotti

An introduction to the Quantum Chemistry Package (QCP), implemented in the computer algebra system Maple, is presented. The QCP combines sophisticated electronic structure methods…

physics.chem-ph2018★ 52 cited

Strong Electron Correlation in Nitrogenase Cofactor, FeMoco

Jason M. Montgomery, David A. Mazziotti

FeMoco, MoFeSC, has been shown to be the active catalytic site for the reduction of nitrogen to ammonia in the nitrogenase protein. An understanding of its electronic struc…

quant-ph2015★ 4 cited

Transport Enhancement of Irregular Optical Lattices with Polychromatic Amplitude Modulation

R. A. Pepino, W. P. Teh, L. J. Magness

We demonstrate that the transport characteristics of deep optical lattices with one or multiple off-resonant external energy offsets can be greatly-enhanced by modulating the latti…

physics.class-ph2013★ 1 cited

Using symmetry to generate solutions to the Helmholtz equation inside an equilateral triangle

Nathaniel Stambaugh, Mark Semon

We prove that every solution of the Helmholtz equation within an equilateral triangle, which obeys the Dirichlet conditions on the boundary, is a member of one of four symmetry cla…