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David R Reichman

Explore the profile of David R Reichman including associated specialties, affiliations and a list of published articles. Areas
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Articles 147
Citations 1854
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Recent Articles
1.
Huang C, Chica D, Cui Z, Handa T, Thinel M, Olsen N, et al.
Nat Commun . 2025 Feb; 16(1):1896. PMID: 39988629
A ferroelectric material often exhibits a soft transverse optical (TO) phonon mode which governs its phase transition. Charge coupling to this ferroelectric soft mode may further mediate emergent physical properties,...
2.
Mahajan A, Thorpe J, Kurian J, Reichman D, Matthews D, Sharma S
J Chem Theory Comput . 2025 Feb; 21(4):1626-1642. PMID: 39907123
We introduce a black-box auxiliary field quantum Monte Carlo (AFQMC) approach to perform highly accurate electronic structure calculations using configuration interaction singles and doubles (CISD) trial states. This method consistently...
3.
Jasrasaria D, Mandal A, Reichman D, Berkelbach T
J Chem Phys . 2025 Jan; 162(1). PMID: 39745166
In this work, we investigate anharmonic vibrational polaritons formed due to strong light-matter interactions in an optical cavity between radiation modes and anharmonic vibrations beyond the long-wavelength limit. We introduce...
4.
Lindoy L, Mandal A, Reichman D
Nanophotonics . 2024 Dec; 13(14):2617-2633. PMID: 39678666
In this paper, we develop quantum dynamical methods capable of treating the dynamics of chemically reacting systems in an optical cavity in the vibrationally strong-coupling (VSC) limit at finite temperatures...
5.
Nguyen H, Ng N, Lindoy L, Park G, Millis A, Chan G, et al.
J Chem Phys . 2024 Sep; 161(10). PMID: 39268824
We investigate the application of matrix product state (MPS) representations of the influence functionals (IFs) for the calculation of real-time equilibrium correlation functions in open quantum systems. Focusing specifically on...
6.
Yang J, Cui Z, Mahajan A, Zhai H, Reichman D, Chan G
J Chem Phys . 2024 Sep; 161(10). PMID: 39248383
Polarons are quasiparticles formed as a result of lattice distortions induced by charge carriers. The single-electron Holstein model captures the fundamentals of single polaron physics. We examine the power of...
7.
Wei Y, Debnath S, Weber J, Mahajan A, Reichman D, Friesner R
J Phys Chem A . 2024 Jul; 128(28):5796-5807. PMID: 38970826
This study evaluates the precision of widely recognized quantum chemical methodologies, CCSD(T), DLPNO-CCSD(T), and localized ph-AFQMC, for determining the thermochemistry of main group elements. DLPNO-CCSD(T) and localized ph-AFQMC, which offer...
8.
Jin J, Reichman D
J Phys Chem B . 2024 Mar; 128(13):3182-3199. PMID: 38507575
The thermodynamic entropy of coarse-grained (CG) models stands as one of the most important properties for quantifying the missing information during the CG process and for establishing transferable (or extendible)...
9.
Cui Z, Mandal A, Reichman D
J Chem Theory Comput . 2024 Feb; 20(3):1143-1156. PMID: 38300885
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to determine the ground state. Møller-Plesset (MP-, with = 2...
10.
Jin J, Reichman D
J Phys Chem B . 2024 Jan; 128(4):1061-1078. PMID: 38232134
Determining the Fourier representation of various molecular interactions is important for constructing density-based field theories from a microscopic point of view, enabling a multiscale bridge between microscopic and mesoscopic descriptions....