5 papers
Learning Interatomic Force Coefficients from X-ray Thermal Diffuse Scattering Data
Klara Suchan, Shaswat Mohanty, Hanfeng Zhai +1
We present a fully automated framework for extracting interatomic force constants (IFCs) directly from X-ray thermal diffuse scattering (TDS) data. By formulating scattering intens…
From Connectivity to Rupture: A Coarse-Grained Stochastic Network Dynamics Approach to Polymer Network Mechanics
Shaswat Mohanty, Wei Cai
We introduce a coarse-grained stochastic network dynamics (CGSND) framework for modeling deformation and rupture in polymer networks. The method replaces explicit molecular dynamic…
StockBot 2.0: Vanilla LSTMs Outperform Transformer-based Forecasting for Stock Prices
Shaswat Mohanty
Accurate forecasting of financial markets remains a long-standing challenge due to complex temporal and often latent dependencies, non-linear dynamics, and high volatility. Buildin…
Large Deviations of First Passage Times of Branching Random Walks in : Asymptotics and Algorithms
Jose Blanchet, Wei Cai, Shaswat Mohanty +1
We investigate the large deviation probabilities of first passage times (FPT) of discrete-time supercritical non-lattice branching random walks (BRWs) in where $d\ge…
Generalizability of Graph Neural Network Force Fields for Predicting Solid-State Properties
Shaswat Mohanty, Yifan Wang, Wei Cai
Machine-learned force fields (MLFFs) promise to offer a computationally efficient alternative to ab initio simulations for complex molecular systems. However, ensuring their genera…