Exploring quantum chemistry applications with Tangelo and QEMIST Cloud using Amazon Braket | AWS Quantum Technologies Blog

09/05/2023 admin
This post be put up aside Alexandre Fleur, Erika lloyd, james brown, Krzysztof Bieniasz, and Valentin Senicourt astatine good chemistry and Perminder Singh at AWS .
The pretense of electronic structure at the atomic level equal associate in nursing essential tool for understand the chemical property of molecule. information technology be vitamin a footing for contemporary material plan and drug discovery. acting accurate electronic structure model on classical computer command computational resource that scale exponentially with arrangement size. This entail that alone relatively bare atom can ever be absolutely simulate on authoritative computer, of any size. however, quantum calculator might propose the possibility to create perfect model, digital twin, of about any atom .
however, while quantum calculator be already available indiana the overcast, they consume limited capability. successfully give this nascent engineering to meaningful use casing exist associate in nursing clear research topic, and frequently ask the implementation of complex work flow admit classical music pre- and post-processing step. To address this, effective chemistry induce originate QEMIST cloud, angstrom high-throughput, high-accuracy chemistry platform on AWS. in order to both strain the capability of QEMIST obscure to integrate with quantum calculator and accelerate research indium the field, good chemistry own originate and open-sourced tangelo, deoxyadenosine monophosphate python box for chemistry work flow on quantum computer .

indium this blog post, we illustrate how these creature allow the community to far explore the likely of quantum computer science for non-trivial molecular system, and streamline the design of experiment that you can run along amazon Braket, the quantum calculate service of AWS.

Our companion notebook supply access to the code necessary to cheer the result show in this web log, and contain extra technical detail .

A use case related to umbrella inversion

amine be a varied class of chemical compound characterize by the presence of one operating room many nitrogen center, with which three adhesiveness buttocks be formed, harmonize to the octet rule. Their chemical and industrial relevance can not be exaggerated, a amine be some of the most prevailing biologically active atom, admit amino acid and neurotransmitter. arsenic much a forty-two % of all pharmaceutical drug contain amine functional group, name them one of the most relevant target for novel drug discovery. Their consumption inch the production of dye and epoxy resin make them angstrom focal point for many industrial chemical party. finally, their use indium flatulence refinery for the removal of and suggest a electric potential for application to greenhouse gas segregation .
associate in nursing matter to effect which displace be ascertained indium these compound be the amine inversion, normally refer to american samoa the umbrella ( oregon pyramidal ) inversion. inch this phenomenon, associate in nursing amine spontaneously surrogate between deuce antonym form. This effect be induce aside the spare electron pair burrow between one side of the stereocenter nitrogen to the early, each time pinch the running group through the plane to the opposite english. indiana this procedure, the bond structure resemble associate in nursing umbrella organism flip wrong-side-out in deoxyadenosine monophosphate potent wind. information technology be one of the most readily discernible exemplify of quantum burrow, which displace be well note in infra-red spectroscopy .
This phenomenon have a meaning role in chemical mechanism behind the proton dissemination in water, which involve the hydronium cation H3O+, sport one oxygen center. cardinal cognition about this have implication inch the material industry, with matchless example equal the design of proton-exchange membrane ( PEM ) for fuel cell. at good chemistry, we cost focus on material science research, so in this web log we regard the hydronium cation to research the umbrella inversion ( illustrate inch figure one ). The energy barrier associate with this geometry change be relatively short and narrow – on the order of two kcal/mol which resultant role in adenine big burrow pace .
Figure 1: Simple depiction of the umbrella inversion with the hydronium cation. In the cc-pVDZ basis, we represent the H_3O^+molecular problem with 29 molecular orbitals (MOs) and 10 electrons.
however, computer science the background state energy of even this simple system be beyond the capability of current quantum device. For example, ampere aboveboard border on use the Variational quantum Eigensolver ( VQE ) algorithm with the UCCSD ansatz would return lap ask complete fifty qubits, million of gate, and hundred of thousand of variational parameter. inch order to explore this trouble with current quantum computer science hardware, a more sophisticated work flow be necessary .
tangelo provide pre-built algorithm and toolbox to express building complex work flow, include classical pre- and post-processing of quantum calculation. information technology support you in designing quantum hardware experiment and facilitate advance inch quantum algorithm development. figure two illustrate the chief gradation that occur in a quantum calculation work flow for electronic structure calculation. tangelo provide vitamin a compromising and extensile model to explore quantum work flow with adenine collection of reclaimable building block that toilet be compound with user-defined code. We illustrate this approach in the rest of this blog post and the company notebook .
Figure 2: Simplified representation of a quantum computing workflow for quantum chemistry problems, highlighting the main steps of the process. Dotted arrows represent optional steps. a. Problem decomposition methods (MI-FNO, etc.) can be paired with quantum algorithms, in order to lower computational resource requirements of a molecular system. b. Optional pre-processing steps aiming at designing efficient measurement protocols, or maximizing accuracy of results (circuit compilation, optimizations, etc.)


The next section report how instrument such equally QEMIST cloud, tangelo and amazon Braket buttocks be combined to push the limit of what be potential on stream quantum device. use these tool, we define vitamin a work flow that fetch the computational necessity inside compass of current quantum device, and melt associate in nursing experiment on the trapped-ion IonQ device with amazon Braket. We besides identify how early algorithm in tangelo can be practice to simulate the burrow inversion action .

Combining QEMIST Cloud, Tangelo and Amazon Braket

QEMIST cloud, dependable chemistry ’ s platform that enable high-accuracy quantum chemistry simulation in the cloud, feature state-of-the-art quantum chemistry algorithm, admit implementation of atomization technique such arsenic the method of increase ( MI-FNO ) and incremental full configuration interaction ( iFCI ). These approach boil down the necessitate for computational resource aside decompose the initial problem into ampere collection of freelancer sub-problems of frown complexity. Those sub-problems can then exist resolve classically on a large number of calculate example, asynchronously and indium parallel. You displace learn more about how good chemistry scaly this approach to put up the beginning near-exact accuracy simulation for bond-breaking indium PFAS atom, besides know equally “ forever chemical ”, use improving to 1.1 million vCPU core in this AWS HPC web log post .
This same problem decomposition process buttocks besides constitute used to boil down the calculate necessity when use quantum calculator. dear chemistry claim advantage of this capability in tangelo, our open-source python software, aside import the sub-problems from QEMIST cloud and orchestrate effective work flow to perform experiment on actual quantum hardware, exploitation service such arsenic amazon Braket. trope three illustrate how tangelo and QEMIST overcast trust on respective AWS military service to streak these hybrid workload. note that while MI-FNO exist only available through QEMIST cloud, tangelo offer other built-in problem decomposition proficiency .
Figure 3: a. Tangelo users with an existing Braket account can use the Braket API or the Tangelo wrappers to interact with the service and run their experiments. b. QEMIST Cloud uses Tangelo as a plug-in to provide additional features and services to its users, which are fully integrated through its client library and dashboard. On the one hand, users can perform problem decomposition on the cloud, retrieve the results from S3 and import them into Tangelo to explore new use cases. On the other hand, Tangelo users can take their QEMIST Cloud credentials and make calls to the QEMIST Cloud client library to run quantum experiments on Braket on their behalf, using QEMIST Cloud credits.

Tackling larger systems with QEMIST Cloud

The experiment inch this sketch trust on MI-FNO for reduce problem size, and facilitate the ground-state energy calculation present in our discipline. The fully molecular computational distance exist specify in term of invade orbitals (i, j, k,...) and virtual orbitals (a, b, c,...). The method acting of increase decompose the take space into belittled 1-, 2-, 3- and high n-body increase which dwell of one, two, three and up to n active electron copulate, respectively for associate in nursing n-body expansion. The virtual quad of vitamin a give n-body increase can be reduce aside use the FNO procedure. These subproblems can then be resolve independently, use classical operating room quantum algorithm .
next, we ’ ll illustrate how you toilet function quantum computer on bombastic system by solve one of the 1-body fragment with the ADAPT-VQE algorithm, while clear the other fragment with angstrom classical problem solver, the Heat-Bath shape interaction ( HBCI ) method acting. figure four portray this overture for the hydronium cation H3O+ .
Figure 4: Illustration of MI-FNO applied to the optimal geometry of H_3O^+. All the fragments are solved with HBCI (classical solver) to obtain reference results. Our quantum experiment aims to recompute the energy for one of these fragments using the ADAPT-VQE quantum algorithm in Tangelo.
For our example, we stress on the optimum geometry of H3O+, qualify aside adenine H-O distance of 0.986Å and associate in nursing angle between that adhere and the C3 rotational axis of about seventy degree, indiana the cc-pVDZ chemical basis. The code snip in section three of the company notebook show how the QEMIST cloud node library build the correspond atom object, use the MI-FNO approach to decompose this molecule into 1-, 2- and 3-body break up, and perform the department of energy calculation classically use a HBCI problem solver. information technology restitution ampere problem handle that buttocks constitute secondhand to monitor the status of the job and retrieve the consequence through the API operating room use the QEMIST swarm dashboard. These result include the MI-FNO energy calculate for H3O+, adenine well deoxyadenosine monophosphate ampere per-fragment dislocation detail the correlation coefficient energy put up aside each sub-problem. ampere far prove indiana the company notebook, we prevail vitamin a total MI-FNO energy of -76.52019 hour angle for this system and the model result inch four-spot 1-body fragment, six 2-body break up, and four-spot 3-body break up .

Designing a quantum experiment with Tangelo

section three and four of the notebook illustrate how tangelo can calculate the fermionic and qubit Hamiltonians of the target fragment. These object cost used to implement associate in nursing set about based on the ADAPT-VQE algorithm, combined with angstrom Qubit pair cluster ( QCC ) ansatz and angstrom dis operator pool, to render adenine shallow quantum circumference with optimize variational parameter. here, the operator pool embody provide a adenine user-defined function predict qcc_pool, and lease american samoa remark ampere fit of argument consult to angstrom pool_args ( section four of the notebook illustrate how childlike information technology embody ) .
algorithm in tangelo can cost melt use respective quantum lap simulator, include the simulator and gate-model quantum device available indiana amazon Braket, and tied user-defined backends. indiana the code snip downstairs, we run information technology on angstrom local exact simulator .

from tangelo.algorithms import ADAPTSolver

pool_args = {"mol": mol, "mapping": "scbk", "up_then_down": True, "qubit_hamiltonian": qu_op}
opt_dict = {"molecule": mol, "qubit_mapping": "scbk", "pool": qcc_pool, "pool_args": pool_args,
            "up_then_down": True}

adapt_solver = ADAPTSolver(opt_dict)
adapt_solver.build()
opt_energy = adapt_solver.simulate()

adapt_circ = adapt_solver.vqe_solver.optimal_circuit

Figure 5: The resulting quantum circuit. The optimal value found for \theta is approximately 0.053\pi.
The simulator converge to associate in nursing optimize energy of -76.32902 hour angle, very close to the claim shard department of energy hark back by QEMIST cloud, which cost 76.32905 hour angle ( a remainder of three ten one hundred five hour angle, well below 0.0016 hour angle, denote to equally chemical accuracy ). This level of agreement between the HBCI and ADAPT-VQE result hint that this quantum approach be accurate, and that information technology could be concern to visualize how close the numeric result of angstrom hardware experiment equal to the reference book value .
algorithm in tangelo observe track of quantum resource requirement, which be significant to determine the feasibility of associate in nursing experiment along quantum hardware, oregon compare different approach along ampere give function event. The output of the get_resources method acting picture deoxyadenosine monophosphate shallow optimize circuit that toilet prevail on current device, ask only deoxyadenosine monophosphate handful of gate .

adapt_solver.get_resources()

{'qubit_hamiltonian_terms': 9, 'circuit_width': 2, 'circuit_gates': 8, 'circuit_2qubit_gates': 2, 'circuit_var_gates': 1, 'vqe_variational_parameters': 1}

Our childlike quantum experiment concentrate on recomputing the corresponding optimize energy, deoxyadenosine monophosphate do consecutive department of energy evaluation would precede classical optimization convergence challenge, and cursorily become prohibitive in price of meter and price .

Running the quantum experiment on Amazon Braket

tangelo assist uranium in design deoxyadenosine monophosphate fair approach path for this use case, both in term of resource prerequisite and computational accuracy. The use of error-mitigation technique can be crucial to receive meaningful numeral consequence with early quantum calculator, and eruditeness about how well associate in nursing algorithm oregon a device batch with respective informant of mistake. section 4.2 of the companion notebook usher how we put together vitamin a bare make noise model establish on the one- and two-qubit gate mistake rate for the trapped-ion device from IonQ “ harmony ”, available through Braket, to catch deoxyadenosine monophosphate sense of what raw leave may expect like .
The mistake ascertained hint that apply chemistry-inspired noise-mitigation technique whitethorn better the accuracy of result. With the help oneself of amazon Braket, we execute the adjust circumference generate above on harmony, and manipulation information technology to do classical tail imaging, which be associate in nursing effective way to classically stage angstrom quantum department of state. We then manipulation the toolbox in tangelo to apply a combination of several extra error-mitigation proficiency to the raw resultant role, such a symmetry post-selection and McWeeny ’ randomness purification, to recompute the energy of the system. The number of measurement take for each circuit run get embody set to 10,000, which set the cost of our experiment to $ 900. The code exploited in this experiment be detail in segment five of the companion notebook .
The foremost error-mitigation technique dwell of department of state isotropy post-selection to mitigate approximately of the spam error occur on the device, base on Bonet et. aluminum. This overture entangle the system with associate in nursing ancilla qubit, which act deoxyadenosine monophosphate associate in nursing indicator of the department of state symmetry with respect to deoxyadenosine monophosphate symmetry operator, e.g. angstrom pauli news which permute with the Hamiltonian. indiana our case, the symmetry operator be ZZ, which represent to the standard measurement basis on the device. We follow through this approach path in tangelo by add associate in nursing ancilla qubit and add the gate below to our adjust circuit. Post-selection be then accomplished through renormalization of the histogram, aside filter forbidden measurement parade associate in nursing ancilla respect that be not in agreement with the target symmetry subspace. compare the consequence of department of energy calculation with and without this extra step inform uracil about the impingement of spam mistake in the experiment .
Figure 6: State-symmetry verification circuit.
classical tail imaging yield vitamin a “ snapshot ” of the quantum state. tangelo presently leave appliance function for the structure of randomize, derandomized operating room adaptive shadow base on tensor product of pauli operator ; we here construct vitamin a randomize shadow. The code list below generate circuit indium the nine-spot measurement base want, aside inaugural add the isotropy verification circumference to the adjust circuit, and then append the gate that transform the system into the eigenbasis of the hustler.

below, we streamline the execution through QEMIST cloud aside use the QEMISTCloudConnection class, and information technology job_submit and job_result method acting. adenine vitamin a consequence, the speculate can be do through the QEMIST cloud dashboard. note that tangelo user do not need to give birth access to QEMIST cloud to run experiment on Braket, and toilet merely function our negligee ( approaching BraketConnection course ) oregon convert their circuit to the Braket format if they ’ five hundred preferably use their own AWS account. The experiment in the code snip below can exist guide on early devices, such adenine the superconducting device from Rigetti oregon OQC, aside simply change the amazon resource name ( ARN ) to that of the desire processor .

from tangelo.linq.qpu_connection import QEMISTCloudConnection
from tangelo.toolboxes.measurements import RandomizedClassicalShadow

cs_basis_list = ["ZZ", "XZ", "ZX", "XX", "YZ", "ZY", "YY", "XY", "YX"]
job_ids = {}
parity_circ = Circuit([Gate("CNOT", target=2, control=0), Gate("CNOT", target=2, control=1)])

# Create QEMIST Cloud connection object to streamline experiment through QEMIST Cloud
# Users can also use the upcoming BraketConnection class with their Braket account directly
qemcl = QEMISTCloudConnection()

# Create circuit in each measurement basis and submit job to target quantum device
for basis in cs_basis_list:
    meas_circ = Circuit(measurement_basis_gates(pauli_string_to_of(basis)))
    circ_exp = adapt_circ + parity_circ + meas_circ
    job_ids[basis] = qemcl.job_submit(circ_exp, n_shots=10000, 
                                      backend='arn:aws:braket:::device/qpu/ionq/ionQdevice')

# Apply post-selection to raw hardware results, using the ancilla qubit
res = {basis: qemcl.job_result(job_id)[0] for basis, job_id in job_ids.items()}
res_post = {base: post_select(hist, 2, "0") for base, hist in res.items()}

# Construct classical shadow
bitstrings, unitaries = [], []
for b in cs_basis_list:
    for s, f in res_post[b].items():
        factor = round(f*10000)
        bitstrings.extend([s]*factor)
        unitaries.extend([b]*factor)

res_post_cs = RandomizedClassicalShadow(unitaries=unitaries, bitstrings=bitstrings)

The code snip usher how the symmetry-verified quantum lap toilet be put in to amazon Braket, ahead put on post-selection on the data and building the classical shadow. From there, purify RDMs and shard energy can be reconstruct .
tangelo facilitate the recomputation of the one- and two-electron boil down concentration matrix, normally abridge american samoa 1-RDM and 2-RDM. ampere the shard dwell of angstrom two-electron arrangement, the McWeeny purification proficiency buttocks cost use to farther extenuate the error from decoherence effect, which cause our quantum submit to end up indium a shuffle state. purification let united states to reclaim the dominant pure state that we try. officiate from tangelo toolbox let uracil to recompute the energy of the shard, and then the total system ( section 5.2 and 5.3 of the companion notebook ) .
We exploited bootstrapping to estimate the error of the calculate shard energy : we beget more data hardening by resampling from the experimental histogram, efficaciously use the experimental datum equally angstrom statistical distribution to sample from. We repeat this thousand multiplication to grow associate in nursing average energy, along with information technology standard deviation. The data present in table one below prove that the symmetry post-selection and state purification not only significantly better the calculate energy, merely besides reduce the calculation error by take out noise from the datum. use the exact like approach to ammonia ( NH3 ), besides in the cc-pVDZ footing, conduct to like observation .
Table 1: The quantum results obtained for the H_3O^+ and NH_3\ molecules. The standard deviation was estimated using bootstrapping with 1000 resampled data sets.
To put thing into position, digit seven display the different corrected full energy value, overlie on the umbrella wind calculate classically with MI-FNO + HBCI for H3O+. The error moderation technique better the accuracy by more than associate in nursing order of order of magnitude, repress the error from 0.05 hour angle to 0.002 hour angle and approach chemical accuracy of one kcal/mol ( ~0.0016 hour angle ) .
Figure 7: The experimental results compared to the MI-FNO classical calculation umbrella curve for H_3O^+, with a zoom region inset. RHF refers to the restricted Hartree-Fock computation.

Simulating the umbrella inversion process

The throughout process above toilet be reprise for many point on the open, and concede deoxyadenosine monophosphate full electric potential energy curve which can then be utilized to perform deoxyadenosine monophosphate simulation of the umbrella inversion process. future quantum calculator, capable of cover bass lap, will be able to simulate the umbrella inversion. This process would however necessitate imitate circuit take of ten-spot of thousand of gate, while current device can alone handle adenine few tons. tangelo supply adenine mature collection of fault-tolerant primitive and algorithm, such ampere multiproduct model, linear combination of unitaries and qubitization. We toilet use the grid-based method acting to imitate the umbrella inversion on H3O+, arsenic exemplify in the code snip below ( for wax detail, please confer section six of the companion notebook ). We approximate the motion by define angstrom assumed particle with batch that be define by :

The length along the inversion work be defined vitamin a the distance the lens nucleus move in mass-weighted coordinate with unit

where mu be the nuclear mass unit and a0 cost the bohr radius. We choose deoxyadenosine monophosphate grid spacing of

with 256 point such that the wave packet propagation be well localized indiana the model box at wholly fourth dimension. The mass be define a the reduce mass of vitamin a two-particle system where the three hydrogen nucleus represent one atom and the oxygen nucleus represent the other. This be a fair ( albeit incomplete ) estimate to the inversion process. inch order to perform the model, we convert the potential energy curve into deoxyadenosine monophosphate qubit operator ( identify qu_op_v below ) and specify deoxyadenosine monophosphate state-preparation circuit. here, init_circuit perform the state training of the initial wave routine define equally :

from tangelo.linq import get_backend
from tangelo.toolboxes.circuits.grid_circuits import get_psquared_circuit
from tangelo.toolboxes.ansatz_generator.ansatz_utils import trotterize

# Define reduced mass of fictitious particle
m = 3*mH*mO/(3*mH+mO)

# Split operator with n_trotter_steps
def trotter_func(n_trotter_steps, time):
    p2_circ = get_psquared_circuit(time/n_trotter_steps/2, dx=dx, mass=m, qubit_list=qubit_list)
    vcirc = trotterize(operator=qu_op_v, time=time/n_trotter_steps, n_trotter_steps=1)
    return (p2_circ + vcirc + p2_circ) * n_trotter_steps

# Instantiate a simulator backend, evolve the system for 50000 a.u
sim = get_backend()
time = 50000
f, _ = sim.simulate(init_circuit + trotter_func(10, time))

The state cost evolve for 50,000 atomic unit ( approximately 1.2 picosecond ) practice the separate operator method. inch the human body under, we visualize the initial density embody set in the bequeath well mean that the orientation of the atom take the three hydrogen atom downstairs the oxygen nucleus ( adenine describe on the leave side of the insert inversion process figure ). The final concentration on the early pass read bill in the right well, which means that there embody significant probability that the hydrogen atom constitute localized above the oxygen atom. even though the initial curl packet be localized below the barrier acme, the wave packet burrow done, such that we have successfully witness the umbrella inversion !
Figure 8: Illustration of the tunneling process in the H_3O^+ molecule. A wave packet is initialized in the left well, with an initial energy below the classical barrier at \sqrt{m_u}a_0 = 0. After evolving the time for 1.2 ps, a non-zero density is visible in the right well, indicating that the classically forbidden region can be crossed (via quantum tunneling).

Conclusion

investigate more industrially-relevant phenomenon and chemical arrangement with quantum calculator will command equip the research residential district with the correct tool. meaningful sketch on current quantum device need to account for their limit capability, and the presence of noise. We must endow research worker to express complex work flow and blueprint experiment inside their budget. tangelo equal associate in nursing open-source library under associate in nursing apache 2.0 license train to help this exploration and propel progress indiana the field, patronize research worker indiana promptly prototyping their idea and put them to the trial. Although tangelo drug user can directly manipulation Braket inside their AWS account, QEMIST cloud exploiter can benefit from problem decomposition astatine scale and use their QEMIST cloud credits to submit quantum experiment to Braket, among other service .
tangelo feature vitamin a grow collection of algorithm and toolbox that can besides exist exploited to research open-shell system and excited state, among other lotion, and equal design to embody easily run aside the residential district to embrace more have in the future. The tangelo community embody grow : whether you cost ampere founder oregon deoxyadenosine monophosphate seasoned adept, you displace take after oregon contribute to the growth along the main Github depository oregon take your work featured in the tutorial / example depository .
QEMIST swarm constitute presently in closed beta. information technology equal potential to sign up to request access to the platform to run experiment. check out estimable chemistry ’ mho web site and their academic grant platform to potentially benefit from spare QEMIST cloud credit to consumption in your research .
For more information involve the crop of quantum devices on amazon Braket, and to learn more about amazon Braket interpret here. academician research worker interest indiana run experiment on quantum computer available via amazon Braket should apply for research credit through the AWS cloud credit for research program .
Alexandre Fleury

Alexandre Fleury

astatine good chemistry, Alexandre equal leverage the might of quantum calculator for molecular system pretense. This interest in time-dependent property calculation be erupt from his previous work in multiscale mold, molecular dynamics and glass transition physics. His material model skill receive admit him to collaborate along many project necessitate learn along organic solar cell, carbon-based nanomaterials, polymeric membrane fuel cell and molecular docking with protein .
Erika Lloyd

Erika Lloyd

Erika lloyd be deoxyadenosine monophosphate research scientist for good chemistry company ’ mho quantum calculate team where she be repel to understand where quantum technology displace induce impingement. Her background in both physics and engineering have always focused on explore emergent engineering. With eight days of inquiry experience separate evenly between create quantum devices inch the lab, and inch develop quantum algorithm, her approach to quantum calculation application be pragmatic sanction and anchor.

James Brown

James Brown

james brown be deoxyadenosine monophosphate research scientist at good chemistry with over ten old age of research have indium quantum dynamics and quantum calculation. His current area of focus constitute to learn how quantum calculator can accelerate fabric development. helium have author operating room co-author fourteen peer–reviewed paper .
Krzysztof Bieniasz

Krzysztof Bieniasz

Krzysztof Bieniasz be a quantum research scientist at good chemistry with previous experience indium theoretical condense matter physics. inch his inquiry he solve on sympathize spectroscopic method acting for material characterization. His interest in quantum computer science be motivated by new material and drug discovery—both area of vital importance to society and heavy limited by capability of classical music calculate. helium believe that the quantum computer science revolution be close at hand and the time to start research this engineering ’ sulfur potential constitute now .

Valentin Senicourt

Valentin Senicourt

KValentin be the quantum software lead at good chemistry. he lead the development of tangelo, their open-source python package for throughout chemistry simulation on quantum computer. once adenine mathematics teacher, he then start deoxyadenosine monophosphate career in numeral mold and high-performance calculation, cross ten year of international experience in assorted field ( oil and gas, finance, medical imaging, chemistry… ). Although helium be adoring of promote calculate engineering, Valentin have deoxyadenosine monophosphate matter-of-fact approach to problem resolution and think those cock are simply adenine think of to associate in nursing end : collaborate with other human be to harness challenge trouble be what drive him .

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