output
20132025
most citedBig Data Computing and Clouds: Trends and Future Directions

854 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing quant-phShow all

4 papers · 1 filter

quant-ph2025★ 2 cited

Scaling active spaces in simulations of surface reactions through sample-based quantum diagonalization

Marco Antonio Barroca, Tanvi Gujarati, Vidushi Sharma +6

Quantum-chemical simulations are essential for predicting energies of chemical reactions. Accurately solving the many-body Schrödinger equation for reagent and product states of mo…

quant-ph2025★ 2 cited

Computing band gaps of periodic materials via sample-based quantum diagonalization

Alan Duriez, Pamela C. Carvalho, Marco Antonio Barroca +7

A key objective of computational solid state physics is to predict electronic properties of periodic materials. However, electronic structure simulations based on density functiona…

quant-ph2024★ 4 cited

Exploration of Quantum Computing in Materials Discovery for Direct Air Capture Applications

Marco Antonio Barroca, Rodrigo Neumann Barros Ferreira, Mathias Steiner

Direct air capture (DAC) of carbon dioxide is a promising method for mitigating climate change. Solid sorbents, such as metal-organic frameworks, are currently being tested for DAC…

quant-ph2023★ 85 cited

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Yuri Alexeev, Maximilian Amsler, Paul Baity +124

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…