Authors
Citations
- Collective Monte Carlo Updating for Spin Systems
- An overview of spatial microscopic and accelerated kinetic Monte Carlo methods
- Time-Dependent Statistics of the Ising Model
- Correlation length of the two-dimensional Ising spin glass with bimodal interactions
- Nonuniversal critical dynamics in Monte Carlo simulations
- The Ising Model for Population Biology
- Beitrag zur Theorie des Ferromagnetismus
- Crystal Statistics. I. A Two-Dimensional Model with an Order-Disorder Transition
- Magnetic correlations in two-dimensional spin-glasses
- Critical behaviour of the phase transition in the 2D Ising Model with impurities
- Deep Unsupervised Learning using Nonequilibrium Thermodynamics
- Toward an Ising model of cancer and beyond
- Enzymatic hydroxylation of an unactivated methylene C–H bond guided by molecular dynamics simulations
- Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models
- Learning thermodynamics with Boltzmann machines
- PixelCNN++: Improving the PixelCNN with Discretized Logistic Mixture Likelihood and Other Modifications
- First-principles prediction of the stacking fault energy of gold at finite temperature
- Deep Learning the Ising Model Near Criticality
- Bimodal Ising spin glass in two dimensions: The anomalous dimension η
- Simulating the Ising Model with a Deep Convolutional Generative Adversarial Network
- Accelerating Science with Generative Adversarial Networks: An Application to 3D Particle Showers in Multilayer Calorimeters
- Orientational phase behavior of polymer-grafted nanocubes
- Generative adversarial networks (GAN) based efficient sampling of chemical composition space for inverse design of inorganic materials
- Denoising Diffusion Probabilistic Models
- Graph neural network based coarse-grained mapping prediction
- Deep learning on the 2-dimensional Ising model to extract the crossover region with a variational autoencoder
- Unsupervised Learning-Based Multiscale Model of Thermochemistry in 1,3,5-Trinitro-1,3,5-triazinane (RDX)
- Generative adversarial networks
- Deep learning on the 2-dimensional Ising model to extract the crossover region with a variational autoencoder
- Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development
- Predicting long- and short-range order with restricted Boltzmann machine
- Neural network reactive force field for C, H, N, and O systems
- Physics-informed machine learning
- Highly accurate protein structure prediction with AlphaFold
- Reconfigurable Chirality of DNA-Bridged Nanorod Dimers
- GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation
- PARC: Physics-Aware Recurrent Convolutional Neural Networks to Assimilate Meso-scale Reactive Mechanics of Energetic Materials
- E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
- Equivariant Diffusion for Molecule Generation in 3D
- An Introduction to the Ising Model
- Torsional Diffusion for Molecular Conformer Generation
- Ising granularity image analysis on VAE–GAN
- DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- A universal graph deep learning interatomic potential for the periodic table
- Deep Networks as Denoising Algorithms: Sample-Efficient Learning of Diffusion Models in High-Dimensional Graphical Models
- Mapping microstructure to shock-induced temperature fields using deep learning
- Scaling deep learning for materials discovery
- Sampling with flows, diffusion, and autoregressive neural networks from a spin-glass perspective