3 citations · 6 across the 4 of their papers we have counts for
4 papers
Quantum Multiscale Modeling: A Hierarchy of Algorithms for Complex Chemical Systems
Seenivasan Hariharan, Kareljan Schoutens, Sachin Kinge +1
Multiscale modeling of complex chemical systems requires algorithms that operate coherently across electronic, atomistic, mesoscopic, and continuum scales. While quantum algorithms…
Quantum Walks for Chemical Reaction Networks
Seenivasan Hariharan, Sebastian Zur, Sachin Kinge +3
Near a detailed-balance equilibrium, the perturbed mass-action dynamics of a chemical reaction network (CRN) map exactly onto an electrical-flow problem on the bipartite species-re…
Line-graph qubit routing: from kagome to heavy-hex and more
Joris Kattemölle, Seenivasan Hariharan
Quantum computers have the potential to outperform classical computers, but are currently limited in their capabilities. One such limitation is the restricted connectivity between…
Potential Energy Landscape of CO Adsorbates on NaCl(100) and Implications in Isomerization of Vibrationally Excited CO
Jun Chen, Seenivasan Hariharan, Jörg Meyer +1
Several full-dimensional potential energy surfaces (PESs) are reported for vibrating CO adsorbates at two coverages on a rigid NaCl(100) surface based on first principles calculati…