PARyOpt: A software for Parallel Asynchronous Remote Bayesian Optimization. - Balaji Sesha Sarath Pokuri; Alec Lofquist; Chad M. Risko; Baskar Ganapathysubramanian (CoRR, 2018)

Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach. - Shi Li; Balaji Sesha Sarath Pokuri; Sean M. Ryno; Asare Nkansah; Camron De'vine; Baskar Ganapathysubramanian; Chad M. Risko (J. Chem. Inf. Model., 2020)

A Genetic Algorithmic Approach to Determine the Structure of Li-Al Layered Double Hydroxides. - Josiah Roberts; Yang Song; Mark Crocker; Chad Risko (J. Chem. Inf. Model., 2020)

Algorithm 1025: PARyOpt: A Software for Parallel Asynchronous Remote Bayesian Optimization. - Balaji Sesha Sarath Pokuri; Alec Lofquist; Chad Risko; Baskar Ganapathysubramanian (ACM Trans. Math. Softw., 2022)

Evaluating Molecular Similarity Measures: Do Similarity Measures Reflect Electronic Structure Properties? - Rebekah Duke; Chih-Hsuan Yang; Baskar Ganapathysubramanian; Chad Risko (J. Chem. Inf. Model., 2025)