output
20042025
most citedNWChem: Past, Present, and Future

699 citations

20 papers

math.AP2025

Existence results for quasimonotone elliptic systems with growth up to critical exponents

Shalmali Bandyopadhyay, Briceyda B. Delgado, Nsoki Mavinga +1

We establish the existence of weak solutions of coupled systems of elliptic partial differential equations with quasimonotone nonlinearities in the differential equation and on the…

math.CA2025

Upper and Lower Solution Method for Regular Discrete Second-Order Single-Variable BVPs

Shalmali Bandyopadhyay, Kyle Byassee, Curt Lynch

This paper investigates the existence of positive solutions for regular discrete second-order single-variable boundary value problems with mixed boundary conditions, including a no…

math.DG2023

Counterexamples to the non-simply connected Double Soul Conjecture

Jason DeVito

A double disk bundle is any smooth closed manifold obtained as the union of the total spaces of two disk bundles, glued together along their common boundary. The Double Soul Conjec…

math.GT2021

Thin knots and the Cabling Conjecture

Robert DeYeso

The Cabling Conjecture of González-Acuña and Short holds that only cable knots admit Dehn surgery to a manifold containing an essential sphere. We approach this conjecture for thin…

physics.bio-ph2020★ 18 cited

Correlated clusters of closed reaction centers during induction of intact cells of photosynthetic bacteria

Peter Maroti, Istvan A. Kovacs, Mariann Kis +2

Antenna systems serve to absorb light and to transmit excitation energy to the reaction center (RC) in photosynthetic organisms. As the emitted (bacterio)chlorophyll fluorescence c…

physics.chem-ph2020★ 699 cited

NWChem: Past, Present, and Future

E. Aprà, E. J. Bylaska, W. A. de Jong +111

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…