TorchSim: an efficient atomistic simulation engine in PyTorch

Orion Cohen; Janosh Riebesell; Rhys E. A. Goodall; Adeesh Kolluru; Stefano Falletta; Jens Krause; Jorge Colindres; Gerbrand Ceder; Abhijeet S. Gangan

doi:10.1088/3050-287x/ae1799

Related publications

Preprint2025

TorchSim: An efficient atomistic simulation engine in PyTorch

Orion Cohen, Janosh Riebesell, Rhys E. A. Goodall, Adeesh Kolluru, Stefano Falletta, Jens Krause, Jorge Colindres, Gerbrand Ceder, Abhijeet S. Gangan

Preprint2025

Autellix: An Efficient Serving Engine for LLM Agents as General Programs

Michael Luo, Xiaotao Shi, Ce Cai, Tianjun Zhang, Justin Wong, Yichuan Wang, Chi Chiu Wang, Yanping Huang, Zhifeng Chen, Joseph E. Gonzalez, Ion Stoica

Chapter in a book2004

Atomistic Simulation of Si3N4 CVD from Dichlorosilane and NH3

A. A. Bagatur’yants, Airat Kh. Minushev, Konstantin ‘kostya’ Novoselov, А. А. Сафонов, S. Ya. Umanskii, A. S. Vladimirov, Anatoli Korkin

Article2022

Atomistic simulation of polymer-cement interactions: Progress and research challenges

Ashraf A. Bahraq, Mohammed Al-osta, Omar S. Baghabra Al‐Amoudi, Tawfik A. Saleh, I.B. Obot

Construction and Building Materials

Article2010

Simulation on the Biomass Direct-Fired Stirling Engine

Xu Zhang, Yan Ma, Jie Zang, Tie Chen, Jing Yin, Peng Zhang