Planetary Science
Conceptual cross-section of the Cloud Continent proposal showing three layers: the CO2 atmosphere below, the nitrogen-filled honeycomb structure at 50 km altitude, and the habitable atmosphere above

Cloud Continents: Terraforming Venus

A review of Howe's 2022 proposal for terraforming Venus by constructing a floating artificial surface at 50 km altitude, …...

Computational Chemistry
Müller-Brown Potential Energy Surface showing the three minima and two saddle points

Müller-Brown Potential

The Müller-Brown potential: a classic 2D benchmark for optimization algorithms and reaction path methods....

Computational Chemistry

Müller-Brown Basin MA: Langevin Dynamics Simulation

Langevin dynamics simulation showing particle motion in the deep reactant minimum (Basin MA) of the Müller-Brown …

Computational Chemistry

Müller-Brown Basin MB: Langevin Dynamics Simulation

Langevin dynamics simulation showing particle motion in the product minimum (Basin MB) of the Müller-Brown potential …

Computational Chemistry

Müller-Brown Transition: Langevin Dynamics Simulation

Extended Langevin dynamics simulation showing particle transitions between different basins of the Müller-Brown …

Scientific Computing
Velocity Autocorrelation Function showing the signature negative region characteristic of liquid dynamics

Digital Restoration: Modernizing Rahman's 1964 Argon Simulation

How I used modern software engineering (caching, vectorization, and dependency locking) to reproduce a 60-year-old …...

Scientific Computing
Velocity Autocorrelation Function showing the signature negative region characteristic of liquid dynamics and the cage effect discovered by Rahman

Digital Restoration: Modernizing Rahman's 1964 Argon Simulation

A high-fidelity replication of foundational molecular dynamics using modern software engineering practices: caching, …...

Computational Chemistry

Liquid Argon: LAMMPS Simulation

LAMMPS molecular dynamics simulation of liquid argon demonstrating fundamental liquid-state behavior and molecular …

Computational Chemistry

Nonphysical Sampling Distributions in Monte Carlo Free-Energy Estimation: Umbrella Sampling

Torrie and Valleau's 1977 paper introducing Umbrella Sampling, an importance sampling technique for Monte Carlo …...

Computational Chemistry

Copper Adatom Diffusion on Cu(100): LAMMPS Simulation

LAMMPS molecular dynamics simulation of copper adatom diffusion on a Cu(100) surface, showing atomic mobility …

Computational Chemistry
Ball model representation of a crystal surface with steps, kinks, adatoms, and vacancies showing various surface features

LAMMPS Tutorial: Copper Adatom Diffusion

LAMMPS tutorial for copper surface diffusion simulation and ML training data generation. Includes setup, analysis, and …

Computational Chemistry
Ball model representation of a crystal surface with steps, kinks, adatoms, and vacancies showing various surface features

Platinum Adatom Diffusion on Pt(100) Surface

LAMMPS tutorial for platinum adatom diffusion simulation and ML training data. Learn how heavier atoms behave …