Paul E Brumby

9PUBLICATIONS
10CO-AUTHORS
Statistical mechanics in chemistryMolecular and organic electronicsTransport properties and non-equilibrium processesStructure and dynamics of materialsStructural properties of condensed matter
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Publications (9)

|Oct 11, 2025
Navigating Phase Transitions with Path-Finding Algorithms: A Strategic Approach to Replica Exchange Monte Carlo.

Akie Kowaguchi, Katsuhiro Endo, Kentaro Nomura

|Jun 27, 2025
A molecular dynamics study of enhanced CO2 separation via boron nitride nanotubes embedded in a silicon nitride membrane.

Winarto, Lilis Yuliati, Khairul Anam

|Mar 26, 2024
Hysteresis Elimination for an Anisotropic Liquid-Crystal Model via Molecule Design and Replica-Exchange Optimization.

Akie Kowaguchi, Paul E Brumby, Kenji Yasuoka

|Feb 13, 2024
Novel approach for designing order parameters of clathrate hydrate structures by graph neural network.

Satoki Ishiai, Katsuhiro Endo, Paul E Brumby

|Aug 04, 2023
Pre-Smectic Ordering and the Unwinding Helix in Monte Carlo Simulations of Cholesteric Liquid-Crystals.

Paul E Brumby, Akie Kowaguchi, Takuma Nozawa

|Jul 05, 2022
Optimal Replica-Exchange Molecular Simulations in Combination with Evolution Strategies.

Akie Kowaguchi, Katsuhiro Endo, Paul E Brumby

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