Vladimir A Mandelshtam

10PUBLICATIONS
6CO-AUTHORS
Theoretical quantum chemistryStructural properties of condensed matterMetal cluster chemistryComputational chemistryTheory and design of materials
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Publications (10)

|Jun 17, 2026
Coarse-Grained Free Energy Surface with Implicit Nuclear Quantum Effects: Benzene Clusters.

|May 05, 2026
p-H2 vs o-D2 clusters: From liquid-like to glass-like behavior.

|Oct 08, 2025
Erratum: "From all-atom to rigid monomer treatment of molecular clusters" [J. Chem. Phys. 162, 214101 (2025)].

João V M Pimentel, Vladimir A Mandelshtam

|Oct 01, 2025
A computationally efficient subspace harmonic relaxation algorithm for coarse-graining of molecular systems with nearly exact thermodynamic consistency.

João V M Pimentel, Vladimir A Mandelshtam

|Jun 02, 2025
From all-atom to rigid monomer treatment of molecular clusters.

João V M Pimentel, Vladimir A Mandelshtam

|May 15, 2023
Implementation of the self-consistent phonons method with ab initio potentials (AI-SCP).

Colin Schiltz, Dmitrij Rappoport, Vladimir A Mandelshtam

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Frequent Collaborators

4 joint publications

João V M Pimentel

2 joint publications

Colin Schiltz

1 joint publications

Joel D Mallory

1 joint publications

Bridgett H Kohno