Mariano Spivak

According to our database, Mariano Spivak authored at least 3 papers between 2014 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical Simulations.

Mariano Spivak, John E. Stone, João Ribeiro, Jan Saam, Peter L. Freddolino, Rafael C. Bernardi, Emad Tajkhorshid

J. Chem. Inf. Model., August, 2023

Cybershuttle: An End-to-End Cyberinfrastructure Continuum to Accelerate Discovery in Science and Engineering.

Suresh Marru, Marlon E. Pierce, Beth Plale, Sudhakar Pamidighantam, Dimuthu Wannipurage, Marcus Christie, Isuru Ranawaka, Eroma Abeysinghe, Rob Quick, Emad Tajkhorshid, Seid Koric, Jim Basney, Mariano Spivak, Barry Isralewitz, Rafael C. Bernardi, Diego Gomes, Giri P. Krishnan, Maxim Bazhenov, Shava Smallen, Amit Majumdar, Anton Arkhipov, Kael Dai, Xiao-Ping Liu, Kenneth Yoshimoto

Proceedings of the Practice and Experience in Advanced Research Computing, 2023

2014

Improving the calculation of magnetic coupling constants in MRPT methods.

Mariano Spivak, Celestino Angeli, Carmen Jiménez Calzado, Coen de Graaf

J. Comput. Chem., 2014