activity
20212025
most citedGraph Neural Networks Accelerated Molecular Dynamics

63 citations · 77 across the 17 of their papers we have counts for

collaborators

17 papers

cs.LG2025

Discovery of Spatter Constitutive Models in Additive Manufacturing Using Machine Learning

Olabode T. Ajenifujah, Amir Barati Farimani

Additive manufacturing (AM) is a rapidly evolving technology that has attracted applications across a wide range of fields due to its ability to fabricate complex geometries. Howev…

cs.LG2024

Zero-Shot Uncertainty Quantification using Diffusion Probabilistic Models

Dule Shu, Amir Barati Farimani

The success of diffusion probabilistic models in generative tasks, such as text-to-image generation, has motivated the exploration of their application to regression problems commo…

q-bio.QM2024

Multi-Peptide: Multimodality Leveraged Language-Graph Learning of Peptide Properties

Srivathsan Badrinarayanan, Chakradhar Guntuboina, Parisa Mollaei +1

Peptides are essential in biological processes and therapeutics. In this study, we introduce Multi-Peptide, an innovative approach that combines transformer-based language models w…

physics.chem-ph2024

GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation

Janghoon Ock, Parisa Mollaei, Amir Barati Farimani

The exploration of molecular systems' potential energy surface is important for comprehending their complex behaviors, particularly through identifying various metastable states. H…

cond-mat.mtrl-sci20241 cited

AlloyBERT: Alloy Property Prediction with Large Language Models

Akshat Chaudhari, Chakradhar Guntuboina, Hongshuo Huang +1

The pursuit of novel alloys tailored to specific requirements poses significant challenges for researchers in the field. This underscores the importance of developing predictive te…

cs.RO2024

SculptDiff: Learning Robotic Clay Sculpting from Humans with Goal Conditioned Diffusion Policy

Alison Bartsch, Arvind Car, Charlotte Avra +1

Manipulating deformable objects remains a challenge within robotics due to the difficulties of state estimation, long-horizon planning, and predicting how the object will deform gi…