Matthew R Hermes
Overview
Explore the profile of Matthew R Hermes including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
46
Citations
258
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
Mitra A, DCunha R, Wang Q, Hermes M, Alexeev Y, Gray S, et al.
J Chem Theory Comput
. 2025 Jan;
21(2):1010-1011.
PMID: 39746867
No abstract available.
2.
Mitra A, DCunha R, Wang Q, Hermes M, Alexeev Y, Gray S, et al.
J Chem Theory Comput
. 2024 Sep;
PMID: 39256901
We introduce a hybrid quantum-classical algorithm, the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. Derived from the localized active space unitary coupled cluster (LAS-UCCSD) method,...
3.
Wang Q, Agarawal V, Hermes M, Motta M, Rice J, Jones G, et al.
J Chem Phys
. 2024 Jul;
161(1).
PMID: 38949581
Modeling chemical reactions with quantum chemical methods is challenging when the electronic structure varies significantly throughout the reaction and when electronic excited states are involved. Multireference methods, such as complete...
4.
Jangid B, Hermes M, Gagliardi L
J Phys Chem Lett
. 2024 May;
15(22):5954-5963.
PMID: 38810243
We investigated the use of density matrix embedding theory to facilitate the computation of core ionization energies (IPs) of large molecules at the equation-of-motion coupled-cluster singles doubles with perturbative triples...
5.
Agarawal V, King D, Hermes M, Gagliardi L
J Chem Theory Comput
. 2024 May;
20(11):4654-4662.
PMID: 38787596
The localized active space self-consistent field method factorizes a complete active space wave function into an antisymmetrized product of localized active space wave function fragments. Correlation between fragments is then...
6.
Hennefarth M, Hermes M, Truhlar D, Gagliardi L
J Chem Theory Comput
. 2024 Apr;
20(9):3637-3658.
PMID: 38639604
Accurately modeling photochemical reactions is difficult due to the presence of conical intersections and locally avoided crossings, as well as the inherently multiconfigurational character of excited states. As such, one...
7.
DCunha R, Otten M, Hermes M, Gagliardi L, Gray S
J Chem Theory Comput
. 2024 Apr;
20(8):3121-3130.
PMID: 38607377
State preparation for quantum algorithms is crucial for achieving high accuracy in quantum chemistry and competing with classical algorithms. The localized active space-unitary coupled cluster (LAS-UCC) algorithm iteratively loads a...
8.
Calio P, Hermes M, Bao J, Fdez Galvan I, Lindh R, Truhlar D, et al.
J Phys Chem A
. 2024 Feb;
128(9):1698-1706.
PMID: 38407944
Compressed multistate pair-density functional theory (CMS-PDFT) is a multistate version of multiconfiguration pair-density functional theory that can capture the correct topology of coupled potential energy surfaces (PESs) around conical intersections....
9.
Sarkar A, Hermes M, Cramer C, Anderson J, Gagliardi L
J Am Chem Soc
. 2023 Oct;
145(41):22394-22402.
PMID: 37788432
Two possible explanations for the temperature dependence of spin-crossover (SCO) behavior in the dimeric triple-decker Cr(II) complex ([(η-CMe)Cr(μ:η-P)Cr(η-CMe)]) have been offered. One invokes variations in antiferromagnetic interactions between the two...
10.
Di Felice R, Mayes M, Richard R, Williams-Young D, Chan G, de Jong W, et al.
J Chem Theory Comput
. 2023 Sep;
19(20):7056-7076.
PMID: 37769271
The power of quantum chemistry to predict the ground and excited state properties of complex chemical systems has driven the development of computational quantum chemistry software, integrating advances in theory,...