Hongbin Liu

Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States.

Nathan A. Baker, Nicholas P. Bauman, S. Krishnamoorthy, 2020, Journal of chemical theory and computation.

High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation

Jan P Unsleber, M. Troyer, B. Peng, 2022, 2211.14688.

Prospects of quantum computing for molecular sciences

Damian S. Steiger, M. Troyer, G. Low, 2021, Materials Theory.

High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation.

Jan P. Unsleber, M. Troyer, B. Peng, 2022, The Journal of chemical physics.

Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States.

Nathan A. Baker, Nicholas P. Bauman, S. Krishnamoorthy, 2020, Journal of chemical theory and computation.

Acceleration without Disruption: DFT Software as a Service

Hongbin Liu, Fusong Ju, A. Efimovskaya, 2024, 2406.11185.