Rohit Goswami

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authored 10 papers 3 months ago

Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches

Paper • 2510.06030 • Published Oct 7 • 2

Metatensor and metatomic: foundational libraries for interoperable atomistic machine learning

Paper • 2508.15704 • Published Aug 21

Bayesian Hierarchical Models for Quantitative Estimates for Performance metrics applied to Saddle Search Algorithms

Paper • 2505.13621 • Published May 19

Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions

Paper • 2505.12519 • Published May 18

Compositional Analysis of Fragrance Accords Using Femtosecond Thermal Lens Spectroscopy

Paper • 2503.20431 • Published Mar 26

High-order finite element method for atomic structure calculations

Paper • 2307.05856 • Published Jul 12, 2023

Unified Software Design Patterns for Simulated Annealing

Paper • 2302.02811 • Published Feb 6, 2023

The State of Fortran

Paper • 2203.15110 • Published Mar 28, 2022

d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations

Paper • 1909.09830 • Published Sep 21, 2019

Diffusion of self-propelled Janus tracer in polymeric environment

Paper • 1704.06207 • Published Apr 20, 2017